MassBank Record: JP000585



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

ACCESSION: JP000585
RECORD_TITLE: LINOLENIC 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$NAME: LINOLENIC ACID TRIMETHYLSILYL ESTER CH$NAME: 9,12,15-OCTADECATRIENOIC ACID TRIMETHYLSILYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H38O2Si CH$EXACT_MASS: 350.26411 CH$SMILES: CCC=CCC=CCC=CCCCCCCCC(=O)O[Si](C)(C)C CH$IUPAC: InChI=1S/C21H38O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h6-7,9-10,12-13H,5,8,11,14-20H2,1-4H3/b7-6-,10-9-,13-12-
AC$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: splash10-056u-9300000000-a650b2ffd380dfe61768 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 53 17.6 176 54 11.6 116 55 50.4 504 67 5.97 60 69 14.3 143 73 89.3 893 75 96.3 963 77 2.15 22 78 12.5 125 79 99.99 999 80 34.8 348 81 4.82 48 91 28.3 283 93 60.7 607 94 23.7 237 95 5.34 53 105 15.8 158 107 25 250 108 29.3 293 109 1.23 12 117 22.7 227 119 11.1 111 121 18.5 185 122 1.03 10 129 20.3 203 131 14.1 141 135 13.1 131 136 1.01 10 145 12.5 125 149 10.6 106 173 7.3 73 335 5 50 //