MassBank Record: JP000584



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

ACCESSION: JP000584
RECORD_TITLE: LINOLELADIC 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$NAME: LINOLELADIC ACID TRIMETHYLSILYL ESTER CH$NAME: TRANS-9,TRANS-12-OCTADECADIENOIC ACID TRIMETHYLSILYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H40O2Si CH$EXACT_MASS: 352.27976 CH$SMILES: CCCCCC=CCC=CCCCCCCCC(=O)O[Si](C)(C)C CH$IUPAC: InChI=1S/C21H40O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h9-10,12-13H,5-8,11,14-20H2,1-4H3/b10-9+,13-12+
AC$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: splash10-00c0-9200000000-ba89de42b95b177559bc PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 53 14.3 143 54 40 400 55 41.1 411 67 9.31 93 68 30.5 305 69 25.9 259 73 99.2 992 75 99.99 999 79 38.1 381 80 27.3 273 81 83.6 836 82 3.87 39 83 19.5 195 93 23.3 233 94 21.4 214 95 5.88 59 96 31.4 314 97 16.7 167 107 16.3 163 108 1.41 14 109 24.9 249 110 16.3 163 117 41.4 414 121 2.06 21 123 12.5 125 129 28.7 287 131 12.5 125 135 1.84 18 136 11.9 119 145 10 100 149 11.4 114 150 1.55 16 178 12 120 262 11.1 111 337 15.5 155 338 5.8 58 //