MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010050
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010050
RECORD_TITLE: PENTAERYTHRITOL TETRAACRYLIC ACID ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: PENTAERYTHRITOL TETRAACRYLIC ACID ESTER
CH$NAME: PENTAERYTHRITOL TETRAACRYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H20O8
CH$EXACT_MASS: 352.11582
CH$SMILES: C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
CH$IUPAC: InChI=1S/C17H20O8/c1-5-13(18)22-9-17(10-23-14(19)6-2,11-24-15(20)7-3)12-25-16(21)8-4/h5-8H,1-4,9-12H2
CH$LINK: INCHIKEY
KNSXNCFKSZZHEA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8042264
AC$INSTRUMENT: JEOL JMS-D-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: splash10-057i-9500000000-7e16facda7c7de7f2c27
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
26 5.76 58
27 91.89 919
28 19.93 199
29 3.05 31
31 3.23 32
39 4.5 45
40 2.38 24
41 4.61 46
42 1.5 15
43 1.93 19
44 5.66 57
53 4 40
54 13.03 130
55 97.76 978
56 57.02 570
57 7.8 78
66 1.36 14
67 3.21 32
68 5.44 54
69 6.51 65
70 3.28 33
71 2.9 29
72 3.07 31
73 4.57 46
79 2.24 22
80 35.16 352
81 91.27 913
82 99.99 999
83 19.16 192
84 2.59 26
85 5.01 50
95 35.88 359
96 40.25 403
97 4.19 42
98 1.86 19
99 8.49 85
105 1.28 13
106 4.92 49
107 3.23 32
108 42.49 425
109 6.39 64
110 3.16 32
111 7.37 74
123 5.02 50
124 21.44 214
125 30.7 307
126 78.03 780
127 84.81 848
128 5.75 58
134 2.07 21
135 1.45 15
136 13.12 131
137 1.45 15
141 15 150
142 1.36 14
152 1.43 14
153 11.15 112
154 18.45 185
155 1.98 20
178 1.48 15
181 2.54 25
195 2.11 21
196 48.83 488
197 5.26 53
208 2.76 28
225 36.11 361
226 3.9 39
281 17.92 179
295 0.35 4
296 0.54 5
297 0.79 8
298 0.19 2
308 0.55 6
324 2.64 26
325 0.45 5
352 1.02 10
353 0.38 4
//
system version 2.2.8-SNAPSHOT