ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001790
RECORD_TITLE: CIS-9-OCTADECENOIC ACID BUTYL ESTER; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: CIS-9-OCTADECENOIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₄₂O₂
CH$EXACT_MASS: 338.31848
CH$SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12-
CH$LINK: INCHIKEY WIBFFTLQMKKBLZ-SEYXRHQNSA-N
CH$LINK: COMPTOX DTXSID7027099

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-000i-1019000000-895c7df9bb1bbb45c1bf
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  65 0.39 4
  67 1.1 11
  69 1.6 16
  70 1.46 15
  73 1.5 15
  79 0.28 3
  81 0.74 7
  83 2.8 28
  84 0.82 8
  85 0.58 6
  95 1.24 12
  97 2.72 27
  98 0.79 8
  111 1.57 16
  199 0.27 3
  263 2.2 22
  264 4.23 42
  265 5.39 54
  266 0.8 8
  283 4.56 46
  284 0.63 6
  337 2.59 26
  339 99.99 999
  340 22.12 221
  341 4.33 43
  381 0.27 3
//