MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001059
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001059
RECORD_TITLE: ABIETIC ACID TRIMETHYLSILYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: ABIETIC ACID TRIMETHYLSILYL ESTER
CH$NAME: TRIMETHYLSILYL 7-ISOPROPYL-1,4A-DIMETHYL-1,2,3,4,4A,4B,5,6,10,10A-DECAHYDROPHENANTHRENE-1-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C23H38O2Si
CH$EXACT_MASS: 374.26411
CH$SMILES: CC(C)C(C3)=CC(=C2)C([H])(C3)C(C)(C1)C([H])(C2)C(C)(CC1)C(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C23H38O2Si/c1-16(2)17-9-11-19-18(15-17)10-12-20-22(19,3)13-8-14-23(20,4)21(24)25-26(5,6)7/h10,15-16,19-20H,8-9,11-14H2,1-7H3/t19-,20+,22+,23+/m0/s1
CH$LINK: INCHIKEY
RXWFRYPIQODUHW-KKSHJYNMSA-N
AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0076-9880000000-24b5fd6530a234689cb4
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
43 39.6 396
45 15.9 159
55 13.6 136
67 1.06 11
69 23.6 236
73 89.3 893
75 26.6 266
79 1.3 13
81 17.1 171
91 17.1 171
93 18.3 183
103 1.3 13
105 24.2 242
107 14.2 142
109 17.7 177
115 1.53 15
117 22.4 224
119 10.6 106
129 13.6 136
131 2.42 24
133 19.5 195
141 14.2 142
143 26.6 266
159 1.42 14
173 18.9 189
185 36 360
186 11.8 118
193 1.12 11
213 23.6 236
237 16.5 165
239 99.99 999
240 2.13 21
241 34.9 349
243 42 420
255 18.9 189
256 6.44 64
257 18.3 183
357 5.9 59
359 5.9 59
361 0.41 4
372 4.1 41
374 5.9 59
//