ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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$IUPAC: InChI=1S/C21H38O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h6-7,9-10,12-13H,5,8,11,14-20H2,1-4H3/b7-6-,10-9-,13-12-
CH$LINK: INCHIKEY DCFAEXKJEMZTKR-QNEBEIHSSA-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$SPLASH: splash10-056u-9300000000-a650b2ffd380dfe61768
PK$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
//