MassBank Record: JP001059



 ABIETIC ACID TRIMETHYLSILYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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$IUPAC: InChI=1S/C23H38O2Si/c1-16(2)17-9-11-19-18(15-17)10-12-20-22(19,3)13-8-14-23(20,4)21(24)25-26(5,6)7/h10,15-16,19-20H,8-9,11-14H2,1-7H3/t19-,20+,22+,23+/m0/s1
AC$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 //