ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006226
RECORD_TITLE: METHYL EICOSANOATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: METHYL EICOSANOATE
CH$NAME: ARACHIDIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₄₂O₂
CH$EXACT_MASS: 326.31848
CH$SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3
CH$LINK: INCHIKEY QGBRLVONZXHAKJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2061515

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-004i-1009000000-5f846a59ea64c69f0045
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  74 5.53 55
  81 1.55 16
  83 1.1 11
  84 2.99 30
  85 2.58 26
  87 7.71 77
  129 1.05 11
  143 2.68 27
  295 3.06 31
  297 1.36 14
  325 15.94 159
  326 12.06 121
  327 99.99 999
  328 23.71 237
  329 3.32 33
//