MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012128
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012128
RECORD_TITLE: 6-DECYL-4-METHOXY-2H-PYRAN-2-ONE-3-CARBOXALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, INSTITUTE FOR CHEMICAL REACTION SCIENCE TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 6-DECYL-4-METHOXY-2H-PYRAN-2-ONE-3-CARBOXALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H26O4
CH$EXACT_MASS: 294.18311
CH$SMILES: CCCCCCCCCCC(O1)=CC(OC)=C(C=O)C(=O)1
CH$IUPAC: InChI=1S/C17H26O4/c1-3-4-5-6-7-8-9-10-11-14-12-16(20-2)15(13-18)17(19)21-14/h12-13H,3-11H2,1-2H3
CH$LINK: INCHIKEY
MNCBVHHTEQODCX-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-DX-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0fr6-5940000000-1b4c821eb2087cf235fc
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
39 11.73 117
41 38.09 381
42 5.67 57
43 37.53 375
53 13.78 138
55 31.84 318
57 9.13 91
59 14.63 146
66 6.31 63
67 12.95 130
68 7.32 73
69 26.93 269
71 5.8 58
79 6.5 65
81 12.2 122
82 5.89 59
83 9.17 92
93 12.57 126
95 16.73 167
97 8.99 90
98 5.22 52
107 6.06 61
109 7.42 74
110 19.64 196
111 9.41 94
119 8.87 89
121 10.3 103
123 25.74 257
125 24.41 244
127 7.39 74
131 5.84 58
133 9.78 98
137 6.38 64
139 6.21 62
140 57.62 576
141 7.2 72
147 5.83 58
149 5.76 58
150 10.36 104
151 11.75 118
153 99.99 999
154 11.92 119
163 16.44 164
164 7.23 72
167 9.62 96
168 6.48 65
174 5.35 54
177 21.44 214
178 7.87 79
181 25.37 254
182 10.51 105
191 6.57 66
195 9.38 94
196 13.98 140
206 6.65 67
207 16.53 165
209 8.19 82
223 5.67 57
237 32.9 329
238 6.68 67
265 31.09 311
266 56.05 561
267 10.1 101
293 5.62 56
294 34.67 347
295 9.92 99
//
system version 2.2.6-SNAPSHOT