MassBank Record: JP001059

Home Search Record Index

ABIETIC ACID TRIMETHYLSILYL ESTER; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

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$EXACT_MASS: 374.26411000000001649823389016091823577880859375
CH$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
//