ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006220
RECORD_TITLE: METHYL DODECANOATE; 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$NAME: METHYL DODECANOATE
CH$NAME: LAURIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H26O2
CH$EXACT_MASS: 214.19328
CH$SMILES: CCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3
CH$LINK: INCHIKEY UQDUPQYQJKYHQI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5026889
AC$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: splash10-014i-1190000000-2afa3c71f96fe2e29678
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  74 3.24 32
  82 3.19 32
  83 1.59 16
  84 2.21 22
  85 3.07 31
  87 4.91 49
  101 1.78 18
  111 2.04 20
  112 1.54 15
  115 1.8 18
  129 1.44 14
  169 2.36 24
  171 2.19 22
  181 2.04 20
  183 3.61 36
  201 3.93 39
  213 6.06 61
  214 3.92 39
  215 99.99 999
  216 13.51 135
  217 1.59 16
//
