MassBank Record: JP000588



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

ACCESSION: JP000588
RECORD_TITLE: NERVONIC 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$NAME: NERVONIC ACID TRIMETHYLSILYL ESTER CH$NAME: CIS-15-TETRACOSENOIC ACID TRIMETHYLSILYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C27H54O2Si CH$EXACT_MASS: 438.38931 CH$SMILES: CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O[Si](C)(C)C CH$IUPAC: InChI=1S/C27H54O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-30(2,3)4/h12-13H,5-11,14-26H2,1-4H3/b13-12-
AC$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: splash10-06fr-9300000000-1dff2469d31e4d8b09e3 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 54 20.3 203 55 99.99 999 56 15.1 151 57 1.38 14 67 25.9 259 68 16.1 161 69 40.4 404 70 1.18 12 73 88.8 888 75 73.6 736 81 26.6 266 82 1.8 18 83 24.3 243 84 17.7 177 85 10.5 105 95 2.79 28 96 20.7 207 97 24 240 98 19.4 194 109 1.25 13 110 14.4 144 111 16.7 167 117 57.5 575 121 1.21 12 123 11.5 115 129 40.1 401 131 10.1 101 132 1.97 20 145 23.3 233 185 11.5 115 423 16.4 164 424 7.8 78 //