ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001774
RECORD_TITLE: OCTADECANOIC 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$NAME: OCTADECANOIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₄₄O₂
CH$EXACT_MASS: 340.33413
CH$SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3
CH$LINK: INCHIKEY ULBTUVJTXULMLP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5027013

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$SPLASH: splash10-0006-0039000000-94b9262a4efd51edb879
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  61 1.78 18
  65 0.54 5
  70 0.34 3
  71 1.5 15
  73 2.19 22
  81 0.47 5
  83 1.09 11
  84 0.34 3
  85 1.13 11
  91 0.1 1
  97 1 10
  99 0.49 5
  101 0.53 5
  116 0.48 5
  117 0.65 7
  129 1.28 13
  185 0.37 4
  238 10.74 107
  241 0.31 3
  264 0.22 2
  265 1.16 12
  266 0.15 2
  267 3.21 32
  268 0.55 6
  283 2.63 26
  284 1.89 19
  285 23.93 239
  286 4.34 43
  287 0.54 5
  338 0.14 1
  339 10.9 109
  340 5.81 58
  341 99.99 999
  342 22.9 229
  343 3.17 32
  344 0.15 2
  381 0.6 6
  383 0.29 3
//