ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006244
RECORD_TITLE: METHYL CAPRYLATE; EI-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$NAME: METHYL CAPRYLATE
CH$NAME: METHYL OCTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₂
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
CH$LINK: CAS 111-11-5
CH$LINK: INCHIKEY JGHZJRVDZXSNKQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2026864

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-00dl-9000000000-40ffa5798d07e48f1902
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  39 4.78 48
  40 1.36 14
  41 32.46 325
  42 8.22 82
  43 26.68 267
  44 1.15 12
  45 1.89 19
  51 0.16 2
  53 1.16 12
  54 0.9 9
  55 18.31 183
  56 3.78 38
  57 17.1 171
  58 0.84 8
  59 12 120
  60 0.45 5
  61 0.28 3
  65 0.13 1
  67 1.19 12
  68 0.45 5
  69 5.86 59
  70 1.32 13
  71 0.51 5
  72 0.13 1
  73 1.96 20
  74 99.99 999
  75 7.78 78
  76 0.57 6
  79 0.19 2
  80 0.23 2
  81 0.35 4
  82 0.55 6
  83 2.17 22
  84 3.08 31
  85 0.5 5
  87 35.08 351
  88 3.69 37
  89 0.27 3
  97 1.15 12
  98 1.4 14
  99 0.23 2
  101 5.42 54
  102 0.42 4
  115 5.72 57
  116 0.51 5
  125 0.22 2
  126 0.1 1
  127 7.31 73
  128 0.62 6
  129 2.36 24
  130 0.23 2
  143 0.2 2
  158 1.01 10
  159 0.4 4
//