ACCESSION: MSBNK-Athens_Univ-AU283205
RECORD_TITLE: Betamethasone dipropionate; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
DATE: 2019.05.31
AUTHORS: Nikiforos Alygizakis, Katerina Galani, Nikolaos Thomaidis, University of Athens
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2019 Department of Chemistry, University of Athens
COMMENT: CONFIDENCE standard compound
COMMENT: INTERNAL_ID 2832
CH$NAME: Betamethasone dipropionate
CH$NAME: CIWBQSYVNNPZIQ-UHFFFAOYSA-N
CH$NAME: [2-(9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] propanoate
CH$COMPOUND_CLASS: N/A; Environmental Standard
CH$FORMULA: C28H37FO7
CH$EXACT_MASS: 504.2523317
CH$SMILES: CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C
CH$IUPAC: InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3
CH$LINK: CAS
5593-20-4
CH$LINK: PUBCHEM
CID:546807
CH$LINK: INCHIKEY
CIWBQSYVNNPZIQ-UHFFFAOYSA-N
CH$LINK: CHEMSPIDER
475947
AC$INSTRUMENT: Bruker maXis Impact
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 eV
AC$MASS_SPECTROMETRY: RESOLUTION 35000
AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo
AC$CHROMATOGRAPHY: FLOW_GRADIENT 99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min
AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min
AC$CHROMATOGRAPHY: RETENTION_TIME 11.285 min
AC$CHROMATOGRAPHY: SOLVENT A 90:10 water:methanol with 0.01% formic acid and 5mM ammonium formate
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.01% formic acid and 5mM ammonium formate
MS$FOCUSED_ION: BASE_PEAK 505.2598
MS$FOCUSED_ION: PRECURSOR_M/Z 505.2596
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: RECALIBRATE identity on assigned fragments and MS1
MS$DATA_PROCESSING: WHOLE RMassBank 2.10.1
PK$SPLASH: splash10-022j-0790000000-6f83e346f14aab7a68ae
PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
115.0539 C9H7+ 2 115.0542 -3.16
116.0609 C9H8+ 2 116.0621 -10.28
117.0693 C9H9+ 2 117.0699 -5.28
119.085 C9H11+ 2 119.0855 -4.82
120.0878 C8[13]CH11+ 1 120.0894 -13.3
121.0639 C8H9O+ 2 121.0648 -7.24
121.1004 C9H13+ 2 121.1012 -6.27
122.0677 C7[13]CH9O+ 1 122.0687 -8.53
122.1033 C8[13]CH13+ 1 122.1051 -14.51
123.0797 C8H11O+ 2 123.0804 -5.62
123.1155 C9H15+ 2 123.1168 -10.94
124.0829 C7[13]CH11O+ 1 124.0843 -11.51
125.0585 C7H9O2+ 2 125.0597 -9.8
125.0956 C8H13O+ 2 125.0961 -4.29
127.0525 C10H7+ 2 127.0542 -13.37
128.0611 C10H8+ 2 128.0621 -7.63
129.0688 C10H9+ 2 129.0699 -8.3
130.0765 C10H10+ 2 130.0777 -9.21
131.0488 C9H7O+ 2 131.0491 -2.32
131.0846 C10H11+ 2 131.0855 -6.97
132.0561 C9H8O+ 2 132.057 -6.55
132.088 C9[13]CH11+ 1 132.0894 -10.8
133.0638 C9H9O+ 2 133.0648 -7.25
133.1003 C10H13+ 2 133.1012 -6.77
134.0694 C9H10O+ 1 134.0726 -24.17
134.1036 C9[13]CH13+ 1 134.1051 -11.03
135.0797 C9H11O+ 2 135.0804 -5.47
136.0831 C8[13]CH11O+ 1 136.0843 -9.44
137.0612 C5H10FO3+ 2 137.0608 2.34
137.0953 C9H13O+ 2 137.0961 -5.91
139.0747 C8H11O2+ 2 139.0754 -4.83
141.0692 C11H9+ 2 141.0699 -4.49
142.0764 C11H10+ 2 142.0777 -9.41
143.0847 C11H11+ 2 143.0855 -5.55
144.0558 C10H8O+ 2 144.057 -7.75
144.089 C10[13]CH11+ 1 144.0894 -2.95
145.0636 C10H9O+ 2 145.0648 -8.24
145.0999 C11H13+ 2 145.1012 -9.05
146.07 C10H10O+ 1 146.0726 -18.2
146.103 C10[13]CH13+ 1 146.1051 -14.53
147.0794 C10H11O+ 2 147.0804 -6.98
148.0828 C9[13]CH11O+ 1 148.0843 -10.65
149.0949 C10H13O+ 2 149.0961 -8.03
150.0966 C9[13]CH13O+ 1 150.1 -22.35
151.074 C9H11O2+ 2 151.0754 -8.88
151.1112 C10H15O+ 2 151.1117 -3.86
152.0618 C12H8+ 2 152.0621 -1.43
153.0692 C12H9+ 2 153.0699 -4.35
153.0894 C9H13O2+ 2 153.091 -10.31
154.0757 C12H10+ 2 154.0777 -12.83
154.0938 C8[13]CH13O2+ 1 154.0949 -7.34
155.059 CH12FO7+ 1 155.0562 18.43
155.0845 C12H11+ 2 155.0855 -6.64
156.0559 C11H8O+ 2 156.057 -6.94
156.0903 C12H12+ 1 156.0934 -19.83
157.0629 C11H9O+ 2 157.0648 -12.3
157.1003 C12H13+ 2 157.1012 -5.61
158.0711 C11H10O+ 2 158.0726 -9.4
158.1032 C11[13]CH13+ 1 158.1051 -11.66
159.0791 C11H11O+ 2 159.0804 -8.36
160.0834 C10[13]CH11O+ 1 160.0843 -6.19
161.058 C10H9O2+ 2 161.0597 -10.52
161.0948 C11H13O+ 2 161.0961 -7.78
162.0603 C9[13]CH9O2+ 1 162.0636 -20.58
162.0649 C9[13]CH9O2+ 1 162.0636 7.72
162.099 C10[13]CH13O+ 1 162.1 -6.42
163.0739 C10H11O2+ 2 163.0754 -8.76
163.1115 C11H15O+ 2 163.1117 -1.53
165.0694 C13H9+ 2 165.0699 -2.94
165.0901 C10H13O2+ 2 165.091 -5.52
166.0764 C13H10+ 2 166.0777 -8.01
166.0943 C9[13]CH13O2+ 1 166.0949 -3.84
167.0847 C13H11+ 2 167.0855 -5.19
167.1054 C10H15O2+ 2 167.1067 -7.39
168.0564 C12H8O+ 2 168.057 -3.58
168.0925 C12[13]CH11+ 1 168.0894 18.21
168.1089 C9[13]CH15O2+ 1 168.1106 -9.67
169.0635 C12H9O+ 2 169.0648 -7.71
169.1002 C13H13+ 2 169.1012 -5.55
170.0706 C12H10O+ 2 170.0726 -11.65
170.1066 C13H14+ 2 170.109 -14.13
171.0795 C12H11O+ 2 171.0804 -5.38
171.1155 C13H15+ 2 171.1168 -7.99
172.0833 C11[13]CH11O+ 1 172.0843 -5.94
173.0948 C12H13O+ 2 173.0961 -7.53
174.0987 C11[13]CH13O+ 1 174.1 -7.42
175.074 C11H11O2+ 2 175.0754 -7.84
175.0947 C8H15O4+ 3 175.0965 -9.99
175.1107 C12H15O+ 2 175.1117 -5.82
176.1143 C11[13]CH15O+ 1 176.1156 -7.43
177.0901 C11H13O2+ 2 177.091 -5.28
178.0766 C14H10+ 2 178.0777 -6.06
179.0844 C14H11+ 2 179.0855 -6.1
179.1066 C11H15O2+ 2 179.1067 -0.05
180.0916 C14H12+ 2 180.0934 -9.97
181.0633 C13H9O+ 2 181.0648 -8.44
181.0985 C14H13+ 2 181.1012 -14.53
182.0714 C13H10O+ 2 182.0726 -6.67
182.1057 C14H14+ 2 182.109 -18.24
183.0791 C13H11O+ 2 183.0804 -7.42
183.1159 C14H15+ 2 183.1168 -5.33
184.0857 C13H12O+ 2 184.0883 -14.17
184.1201 C14H16+ 1 184.1247 -24.76
185.0594 C12H9O2+ 2 185.0597 -1.55
185.095 C13H13O+ 2 185.0961 -5.66
186.0645 C12H10O2+ 2 186.0675 -16.14
186.0993 C12[13]CH13O+ 1 186.1 -3.48
187.0745 C12H11O2+ 2 187.0754 -4.78
187.1111 C13H15O+ 2 187.1117 -3.19
188.0777 C11[13]CH11O2+ 1 188.0793 -8.52
188.114 C12[13]CH15O+ 1 188.1156 -8.66
189.071 C12H10FO+ 2 189.071 -0.35
189.0906 C12H13O2+ 2 189.091 -2.05
189.1263 C13H17O+ 2 189.1274 -5.7
190.0753 C15H10+ 2 190.0777 -12.58
191.0843 C15H11+ 2 191.0855 -6.64
191.1048 C12H15O2+ 2 191.1067 -9.47
192.0924 C15H12+ 2 192.0934 -4.83
193.1006 C15H13+ 2 193.1012 -3.12
194.0723 C14H10O+ 2 194.0726 -1.66
194.1054 C14[13]CH13+ 1 194.1051 1.74
195.0793 C14H11O+ 2 195.0804 -5.74
195.1158 C15H15+ 2 195.1168 -5.41
196.0873 C14H12O+ 2 196.0883 -5.08
196.1218 C14[13]CH15+ 1 196.1207 5.64
197.0947 C14H13O+ 2 197.0961 -6.96
198.1019 C14H14O+ 2 198.1039 -10.11
199.0735 C13H11O2+ 2 199.0754 -9.26
199.1105 C14H15O+ 2 199.1117 -6.2
200.0823 C12[13]CH11O2+ 1 200.0793 15.05
200.1148 C13[13]CH15O+ 1 200.1156 -4.23
201.0902 C13H13O2+ 2 201.091 -3.95
201.1259 C14H17O+ 2 201.1274 -7.55
202.0786 C13H11FO+ 3 202.0788 -1.23
202.0955 C13H14O2+ 2 202.0988 -16.44
203.0842 C16H11+ 2 203.0855 -6.58
203.1067 C13H15O2+ 2 203.1067 0.19
204.0928 C16H12+ 2 204.0934 -2.81
205.0636 C15H9O+ 2 205.0648 -5.88
205.1005 C16H13+ 2 205.1012 -3.17
206.0713 C15H10O+ 2 206.0726 -6.42
206.1079 C16H14+ 2 206.109 -5.36
207.0808 C15H11O+ 2 207.0804 1.81
207.1155 C16H15+ 2 207.1168 -6.53
208.0872 C15H12O+ 2 208.0883 -5.07
208.1205 C15[13]CH15+ 1 208.1207 -1.1
209.0954 C15H13O+ 2 209.0961 -3.49
209.1299 C16H17+ 2 209.1325 -12.1
210.1022 C15H14O+ 2 210.1039 -8.01
211.0751 C14H11O2+ 2 211.0754 -1.27
211.1106 C15H15O+ 2 211.1117 -5.41
212.1168 C15H16O+ 2 212.1196 -12.85
213.09 C14H13O2+ 2 213.091 -4.57
213.1264 C15H17O+ 2 213.1274 -4.45
214.0949 C13[13]CH13O2+ 1 214.0949 0.12
214.1313 C14[13]CH17O+ 1 214.1313 0.14
215.0851 C17H11+ 2 215.0855 -2.16
215.106 C14H15O2+ 2 215.1067 -2.89
216.0918 C17H12+ 2 216.0934 -6.96
217.0995 C17H13+ 2 217.1012 -7.6
217.1262 C7H21O7+ 3 217.1282 -8.89
218.0697 C16H10O+ 2 218.0726 -13.17
218.1085 C17H14+ 2 218.109 -2.25
219.0802 C16H11O+ 2 219.0804 -0.91
219.116 C17H15+ 2 219.1168 -3.71
220.0859 C16H12O+ 2 220.0883 -10.96
220.1239 C17H16+ 2 220.1247 -3.39
221.0953 C16H13O+ 2 221.0961 -3.69
221.1319 C17H17+ 2 221.1325 -2.66
222.1016 C16H14O+ 2 222.1039 -10.52
222.1367 C16[13]CH17+ 1 222.1364 1.27
223.1105 C16H15O+ 2 223.1117 -5.69
224.0817 C15H12O2+ 2 224.0832 -6.59
224.1156 C16H16O+ 2 224.1196 -17.8
225.0902 C15H13O2+ 2 225.091 -3.76
225.1261 C16H17O+ 2 225.1274 -5.65
226.0984 C15H14O2+ 2 226.0988 -1.76
226.1309 C15[13]CH17O+ 1 226.1313 -1.54
227.0834 C18H11+ 2 227.0855 -9.58
227.105 C15H15O2+ 2 227.1067 -7.34
227.1407 C16H19O+ 2 227.143 -10.42
228.0944 C15H13FO+ 3 228.0945 -0.32
229.1001 C18H13+ 2 229.1012 -4.76
230.1078 C18H14+ 2 230.109 -5.29
231.0799 C17H11O+ 2 231.0804 -2.48
231.116 C18H15+ 2 231.1168 -3.74
232.0877 C17H12O+ 2 232.0883 -2.25
232.1224 C18H16+ 2 232.1247 -9.72
233.0951 C17H13O+ 2 233.0961 -4.24
233.1313 C18H17+ 2 233.1325 -5.16
234.1028 C17H14O+ 2 234.1039 -4.89
234.1388 C18H18+ 2 234.1403 -6.6
235.1107 C17H15O+ 2 235.1117 -4.42
235.1474 C18H19+ 2 235.1481 -3.18
236.0823 C16H12O2+ 2 236.0832 -3.91
236.1171 C17H16O+ 2 236.1196 -10.28
236.153 C18H20+ 2 236.156 -12.53
237.0911 C16H13O2+ 3 237.091 0.32
237.1264 C17H17O+ 2 237.1274 -4.13
237.1617 C18H21+ 2 237.1638 -8.91
238.0964 C16H14O2+ 2 238.0988 -10.04
238.1311 C16[13]CH17O+ 1 238.1313 -0.85
238.1617 C11H23FO4+ 2 238.1575 17.65
239.1051 C16H15O2+ 2 239.1067 -6.66
239.1423 C17H19O+ 2 239.143 -2.97
240.0968 C16H13FO+ 4 240.0945 9.64
240.1111 C15[13]CH15O2+ 1 240.1106 2.23
240.1454 C16[13]CH19O+ 1 240.1469 -6.6
241.0996 C19H13+ 2 241.1012 -6.35
241.1202 C16H17O2+ 2 241.1223 -8.86
241.1571 C17H21O+ 2 241.1587 -6.59
242.1081 C19H14+ 2 242.109 -3.63
243.078 C18H11O+ 2 243.0804 -9.94
243.1162 C19H15+ 2 243.1168 -2.74
244.0866 C18H12O+ 2 244.0883 -6.87
244.1232 C19H16+ 2 244.1247 -5.99
245.095 C18H13O+ 2 245.0961 -4.28
245.1307 C19H17+ 2 245.1325 -7.15
246.1024 C18H14O+ 2 246.1039 -6.22
246.1378 C19H18+ 2 246.1403 -10.26
247.1101 C18H15O+ 2 247.1117 -6.61
247.1458 C19H19+ 2 247.1481 -9.4
248.1186 C18H16O+ 2 248.1196 -3.81
248.153 C19H20+ 2 248.156 -12.06
249.0897 C17H13O2+ 2 249.091 -5.33
249.1263 C18H17O+ 2 249.1274 -4.26
249.1625 C19H21+ 2 249.1638 -5.25
250.0981 C16[13]CH13O2+ 1 250.0949 12.65
250.1327 C17[13]CH17O+ 1 250.1313 5.46
250.1688 C19H22+ 2 250.1716 -11.02
251.1066 C17H15O2+ 3 251.1067 -0.05
251.1417 C18H19O+ 2 251.143 -5.39
251.1783 C19H23+ 2 251.1794 -4.55
252.1121 C17H16O2+ 2 252.1145 -9.43
252.1468 C18H20O+ 2 252.1509 -16.28
253.102 C17H14FO+ 4 253.1023 -1.08
253.1217 C17H17O2+ 2 253.1223 -2.55
253.1569 C18H21O+ 2 253.1587 -6.97
254.1005 C13H15FO4+ 1 254.0949 22.18
254.1262 C16[13]CH17O2+ 1 254.1262 0.09
254.1602 C17[13]CH21O+ 1 254.1626 -9.29
255.1152 C20H15+ 2 255.1168 -6.31
255.1363 C17H19O2+ 2 255.138 -6.37
256.1237 C20H16+ 2 256.1247 -3.77
257.0947 C19H13O+ 2 257.0961 -5.23
257.131 C20H17+ 2 257.1325 -5.77
258.1024 C19H14O+ 2 258.1039 -5.69
258.1391 C20H18+ 2 258.1403 -4.81
259.1113 C19H15O+ 3 259.1117 -1.78
259.1469 C20H19+ 2 259.1481 -4.57
260.1184 C19H16O+ 2 260.1196 -4.62
260.1522 C20H20+ 2 260.156 -14.56
261.126 C19H17O+ 2 261.1274 -5.29
261.1614 C20H21+ 2 261.1638 -9.05
262.1344 C19H18O+ 2 262.1352 -3.19
263.1058 C18H15O2+ 2 263.1067 -3.4
263.142 C19H19O+ 2 263.143 -4.09
264.1115 C18H16O2+ 2 264.1145 -11.15
264.148 C16H21FO2+ 2 264.152 -15.26
265.1195 C18H17O2+ 2 265.1223 -10.68
265.1568 C15[13]CH21FO2+ 1 265.1559 3.31
266.1247 C17[13]CH17O2+ 1 266.1262 -5.69
266.1633 C19H22O+ 2 266.1665 -11.91
267.1138 C21H15+ 2 267.1168 -11.46
267.1394 C15H20FO3+ 3 267.1391 1
267.1742 C19H23O+ 3 267.1743 -0.66
268.1234 C21H16+ 2 268.1247 -4.53
268.177 C18[13]CH23O+ 1 268.1782 -4.71
269.1292 C21H17+ 2 269.1325 -12.25
270.1338 C20[13]CH17+ 1 270.1364 -9.6
271.1118 C20H15O+ 3 271.1117 0.33
271.1473 C21H19+ 3 271.1481 -3.1
272.118 C20H16O+ 2 272.1196 -5.71
272.1534 C21H20+ 2 272.156 -9.26
273.1257 C20H17O+ 2 273.1274 -6.29
273.1633 C21H21+ 3 273.1638 -1.84
274.0985 C19H14O2+ 3 274.0988 -1.37
274.1342 C20H18O+ 2 274.1352 -3.7
274.1676 C21H22+ 2 274.1716 -14.49
275.1062 C19H15O2+ 3 275.1067 -1.63
275.1424 C20H19O+ 3 275.143 -2.26
276.1139 C19H16O2+ 3 276.1145 -2.1
276.1503 C20H20O+ 3 276.1509 -2.02
277.1217 C19H17O2+ 3 277.1223 -2.07
277.1574 C20H21O+ 2 277.1587 -4.83
278.1285 C19H18O2+ 2 278.1301 -5.87
278.1649 C20H22O+ 2 278.1665 -5.75
279.137 C19H19O2+ 3 279.138 -3.32
279.1733 C20H23O+ 3 279.1743 -3.63
280.1441 C19H20O2+ 2 280.1458 -5.94
280.177 C19[13]CH23O+ 1 280.1782 -4.48
281.1535 C19H21O2+ 3 281.1536 -0.32
281.1839 C18[13]C2H23O+ 1 281.1816 8.31
282.1543 C18[13]CH21O2+ 1 282.1575 -11.25
283.149 C19H20FO+ 4 283.1493 -0.78
284.1181 C21H16O+ 2 284.1196 -5.32
284.1488 C15H21FO4+ 1 284.1418 24.61
285.1261 C21H17O+ 2 285.1274 -4.42
286.1354 C21H18O+ 4 286.1352 0.6
287.139 C20[13]CH18O+ 1 287.1391 -0.5
288.1111 C20H16O2+ 2 288.1145 -11.86
288.1486 C21H20O+ 2 288.1509 -7.75
289.1233 C17H18FO3+ 3 289.1234 -0.36
289.1583 C21H21O+ 3 289.1587 -1.44
290.1293 C20H18O2+ 3 290.1301 -2.76
290.1629 C20[13]CH21O+ 1 290.1626 1.2
291.1362 C17H20FO3+ 2 291.1391 -9.94
291.1733 C21H23O+ 3 291.1743 -3.56
292.1461 C16[13]CH20FO3+ 1 292.143 10.74
292.1777 C20[13]CH23O+ 1 292.1782 -1.82
293.1534 C20H21O2+ 3 293.1536 -0.73
293.1787 C19[13]C2H23O+ 1 293.1816 -9.76
294.1585 C20H22O2+ 2 294.1614 -10.04
295.1342 C16H20FO4+ 2 295.134 0.48
295.1689 C20H23O2+ 3 295.1693 -1.15
296.1724 C20H24O2+ 2 296.1771 -15.95
297.1855 C17H26FO3+ 3 297.186 -1.84
299.1445 C19H20FO2+ 4 299.1442 0.96
300.1519 C19H21FO2+ 4 300.152 -0.42
301.1576 C22H21O+ 3 301.1587 -3.51
302.1291 C21H18O2+ 3 302.1301 -3.42
302.1619 C21[13]CH21O+ 1 302.1626 -2.37
303.1363 C21H19O2+ 3 303.138 -5.5
303.1653 C15H24FO5+ 2 303.1602 16.77
304.146 C21H20O2+ 3 304.1458 0.81
305.1531 C21H21O2+ 3 305.1536 -1.58
306.1613 C21H22O2+ 3 306.1614 -0.37
307.1674 C18H24FO3+ 2 307.1704 -9.79
308.1743 C17[13]CH24FO3+ 1 308.1743 -0.01
309.186 C21H25O2+ 3 309.1849 3.38
310.189 C20[13]CH25O2+ 1 310.1888 0.47
311.1667 C20H23O3+ 2 311.1642 8.15
312.1698 C19[13]CH23O3+ 1 312.1681 5.68
317.1511 C22H21O2+ 2 317.1536 -7.75
319.1686 C22H23O2+ 3 319.1693 -2
320.172 C21[13]CH23O2+ 1 320.1732 -3.69
321.1496 C18H22FO4+ 2 321.1497 -0.22
321.1657 C15H26FO6+ 4 321.1708 -15.77
321.1777 C15H26FO6+ 2 321.1708 21.58
324.165 C21H24O3+ 2 324.172 -21.55
337.18 C22H25O3+ 2 337.1798 0.53
338.1835 C21[13]CH25O3+ 1 338.1837 -0.8
357.1935 C18H29O7+ 4 357.1908 7.74
PK$NUM_PEAK: 343
PK$PEAK: m/z int. rel.int.
115.0539 2392 39
116.0609 908 15
117.0693 2664 44
119.085 8800 147
120.0878 1032 17
121.0639 15212 254
121.1004 3740 62
122.0677 1620 27
122.1033 480 8
123.0797 5772 96
123.1155 492 8
124.0829 668 11
125.0585 936 15
125.0956 592 9
127.0525 480 8
128.0611 5480 91
129.0688 3164 52
130.0765 1088 18
131.0488 1348 22
131.0846 8892 148
132.0561 3604 60
132.088 992 16
133.0638 2680 44
133.1003 9244 154
134.0694 796 13
134.1036 1440 24
135.0797 24444 408
136.0831 2208 36
137.0612 792 13
137.0953 2912 48
139.0747 308 5
141.0692 4064 67
142.0764 2968 49
143.0847 11000 183
144.0558 2680 44
144.089 1256 20
145.0636 9304 155
145.0999 7180 119
146.07 2560 42
146.103 800 13
147.0794 59796 999
148.0828 9104 152
149.0949 10672 178
150.0966 1268 21
151.074 1404 23
151.1112 832 13
152.0618 676 11
153.0692 1060 17
153.0894 7644 127
154.0757 824 13
154.0938 776 12
155.059 960 16
155.0845 4832 80
156.0559 724 12
156.0903 1504 25
157.0629 1392 23
157.1003 4872 81
158.0711 5932 99
158.1032 860 14
159.0791 36380 607
160.0834 5176 86
161.058 2684 44
161.0948 14832 247
162.0603 448 7
162.0649 368 6
162.099 1640 27
163.0739 1560 26
163.1115 1128 18
165.0694 1780 29
165.0901 1792 29
166.0764 1300 21
166.0943 328 5
167.0847 2844 47
167.1054 8028 134
168.0564 572 9
168.0925 652 10
168.1089 1248 20
169.0635 3980 66
169.1002 3248 54
170.0706 1996 33
170.1066 1380 23
171.0795 40304 673
171.1155 2820 47
172.0833 6056 101
173.0948 23808 397
174.0987 3872 64
175.074 1268 21
175.0947 648 10
175.1107 3372 56
176.1143 612 10
177.0901 2552 42
178.0766 1520 25
179.0844 4096 68
179.1066 324 5
180.0916 1408 23
181.0633 904 15
181.0985 1920 32
182.0714 2112 35
182.1057 568 9
183.0791 3932 65
183.1159 1500 25
184.0857 1620 27
184.1201 488 8
185.0594 1456 24
185.095 27632 461
186.0645 596 9
186.0993 4644 77
187.0745 16648 278
187.1111 4616 77
188.0777 2052 34
188.114 912 15
189.071 1044 17
189.0906 2176 36
189.1263 880 14
190.0753 1336 22
191.0843 2072 34
191.1048 540 9
192.0924 1416 23
193.1006 4304 71
194.0723 1324 22
194.1054 1144 19
195.0793 5204 86
195.1158 2272 37
196.0873 3932 65
196.1218 620 10
197.0947 12104 202
198.1019 4136 69
199.0735 2032 33
199.1105 6440 107
200.0823 368 6
200.1148 1516 25
201.0902 1004 16
201.1259 1132 18
202.0786 1064 17
202.0955 388 6
203.0842 1072 17
203.1067 1520 25
204.0928 1084 18
205.0636 388 6
205.1005 4276 71
206.0713 432 7
206.1079 1684 28
207.0808 1372 22
207.1155 3140 52
208.0872 5492 91
208.1205 816 13
209.0954 14068 235
209.1299 932 15
210.1022 5868 98
211.0751 908 15
211.1106 9548 159
212.1168 3476 58
213.09 1904 31
213.1264 7172 119
214.0949 344 5
214.1313 1448 24
215.0851 1300 21
215.106 2304 38
216.0918 1912 31
217.0995 2468 41
217.1262 380 6
218.0697 528 8
218.1085 1772 29
219.0802 2548 42
219.116 2752 45
220.0859 2168 36
220.1239 1896 31
221.0953 17752 296
221.1319 2544 42
222.1016 7908 132
222.1367 700 11
223.1105 21952 366
224.0817 824 13
224.1156 7040 117
225.0902 1352 22
225.1261 5516 92
226.0984 852 14
226.1309 1548 25
227.0834 540 9
227.105 1456 24
227.1407 848 14
228.0944 1088 18
229.1001 2724 45
230.1078 3148 52
231.0799 1176 19
231.116 4556 76
232.0877 1752 29
232.1224 1744 29
233.0951 6040 100
233.1313 2524 42
234.1028 6668 111
234.1388 1176 19
235.1107 17080 285
235.1474 2048 34
236.0823 472 7
236.1171 5868 98
236.153 1612 26
237.0911 1160 19
237.1264 9824 164
237.1617 1300 21
238.0964 388 6
238.1311 2284 38
238.1617 356 5
239.1051 4044 67
239.1423 3632 60
240.0968 436 7
240.1111 916 15
240.1454 704 11
241.0996 716 11
241.1202 1392 23
241.1571 520 8
242.1081 1604 26
243.078 340 5
243.1162 5080 84
244.0866 780 13
244.1232 3500 58
245.095 4548 75
245.1307 4236 70
246.1024 5048 84
246.1378 1808 30
247.1101 9112 152
247.1458 2492 41
248.1186 13192 220
248.153 1148 19
249.0897 1616 26
249.1263 18328 306
249.1625 2100 35
250.0981 428 7
250.1327 5108 85
250.1688 848 14
251.1066 1252 20
251.1417 5892 98
251.1783 644 10
252.1121 804 13
252.1468 2228 37
253.102 772 12
253.1217 1172 19
253.1569 3492 58
254.1005 424 7
254.1262 312 5
254.1602 772 12
255.1152 764 12
255.1363 536 8
256.1237 640 10
257.0947 828 13
257.131 2316 38
258.1024 1456 24
258.1391 3444 57
259.1113 4680 78
259.1469 3312 55
260.1184 6900 115
260.1522 1508 25
261.126 18244 304
261.1614 3536 59
262.1344 21292 355
263.1058 2156 36
263.142 38848 649
264.1115 1752 29
264.148 15212 254
265.1195 1092 18
265.1568 3984 66
266.1247 300 5
266.1633 1088 18
267.1138 436 7
267.1394 1160 19
267.1742 2068 34
268.1234 1244 20
268.177 452 7
269.1292 1268 21
270.1338 320 5
271.1118 5296 88
271.1473 956 15
272.118 6684 111
272.1534 352 5
273.1257 4116 68
273.1633 2172 36
274.0985 644 10
274.1342 5128 85
274.1676 1288 21
275.1062 2196 36
275.1424 8072 134
276.1139 1624 27
276.1503 16144 269
277.1217 3640 60
277.1574 20988 350
278.1285 1416 23
278.1649 19240 321
279.137 2908 48
279.1733 31540 526
280.1441 1108 18
280.177 7076 118
281.1535 3972 66
281.1839 868 14
282.1543 948 15
283.149 1184 19
284.1181 364 6
284.1488 572 9
285.1261 1936 32
286.1354 11572 193
287.139 3672 61
288.1111 504 8
288.1486 720 12
289.1233 3540 59
289.1583 4600 76
290.1293 3528 58
290.1629 1408 23
291.1362 3944 65
291.1733 18492 308
292.1461 920 15
292.1777 4424 73
293.1534 1136 18
293.1787 400 6
294.1585 636 10
295.1342 764 12
295.1689 2740 45
296.1724 1040 17
297.1855 872 14
299.1445 708 11
300.1519 364 6
301.1576 12596 210
302.1291 356 5
302.1619 4316 72
303.1363 1072 17
303.1653 792 13
304.146 3476 58
305.1531 1364 22
306.1613 3360 56
307.1674 2924 48
308.1743 736 12
309.186 1556 25
310.189 424 7
311.1667 760 12
312.1698 324 5
317.1511 592 9
319.1686 6148 102
320.172 2024 33
321.1496 440 7
321.1657 320 5
321.1777 356 5
324.165 364 6
337.18 2400 40
338.1835 716 11
357.1935 368 6
//
