ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000586
RECORD_TITLE: ERUCIC 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$NAME: ERUCIC ACID TRIMETHYLSILYL ESTER
CH$NAME: CIS-13-DOCOSENOIC ACID TRIMETHYLSILYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₅H₅₀O₂Si
CH$EXACT_MASS: 410.35801
CH$SMILES: CCCCCCCCC=CCCCCCCCCCCCC(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C25H50O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-28(2,3)4/h12-13H,5-11,14-24H2,1-4H3/b13-12-
CH$LINK: INCHIKEY AYZOMQWLRBJULM-SEYXRHQNSA-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$SPLASH: splash10-06fr-9300000000-d71844c01bb6ec9f7276
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  53 12.6 126
  54 23.5 235
  55 99.99 999
  56 1.56 16
  57 15.6 156
  61 10 100
  67 35.1 351
  68 1.09 11
  69 36.5 365
  73 91.4 914
  75 94.9 949
  81 3.53 35
  82 20.3 203
  83 32.4 324
  84 13.2 132
  95 2.94 29
  96 23.5 235
  97 22.7 227
  98 17.6 176
  109 1.65 17
  111 11.5 115
  117 86.7 867
  129 58.4 584
  130 1.06 11
  131 13.8 138
  132 13.5 135
  137 10 100
  143 1 10
  145 25.9 259
  199 10 100
  395 20.9 209
  396 6.4 64
//