ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002651
RECORD_TITLE: 2-HEXYLDECANOIC ACID METHYL 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$NAME: 2-HEXYLDECANOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₄O₂
CH$EXACT_MASS: 270.25588
CH$SMILES: CCCCCCCCC(CCCCCC)C(=O)OC
CH$IUPAC: InChI=1S/C17H34O2/c1-4-6-8-10-11-13-15-16(17(18)19-3)14-12-9-7-5-2/h16H,4-15H2,1-3H3
CH$LINK: INCHIKEY PBRCCXNUTAGYJI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40970218

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$SPLASH: splash10-052r-9500000000-5c33e3d5921c1708fbb9
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  41 9.9 99
  55 47.1 471
  57 24.7 247
  59 0.79 8
  67 5.2 52
  69 27.5 275
  71 15.1 151
  74 1.7 17
  83 13.7 137
  85 6.6 66
  87 99.99 999
  88 0.82 8
  97 7.7 77
  98 4.9 49
  101 27.2 272
  115 3.38 34
  129 20.1 201
  143 31.9 319
  157 14.3 143
  158 2.03 20
  159 6.8 68
  171 18.4 184
  185 6.8 68
  186 4.46 45
  187 5.7 57
  199 14.8 148
  270 4.6 46
//