ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006242
RECORD_TITLE: METHYL CAPROATE; 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$NAME: METHYL CAPROATE
CH$NAME: METHYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₂
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCCCC(=O)OC
CH$IUPAC: InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
CH$LINK: CAS 106-70-7
CH$LINK: INCHIKEY NUKZAGXMHTUAFE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0047616

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$SPLASH: splash10-00dl-9000000000-8b4e4b7f45f5daa26918
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  38 0.25 3
  39 7.54 75
  40 1.96 20
  41 31.37 314
  42 11.49 115
  43 46.86 469
  44 2.11 21
  45 2.27 23
  51 0.28 3
  52 0.13 1
  53 1.34 13
  54 0.59 6
  55 13.8 138
  56 2.29 23
  57 4.28 43
  58 0.37 4
  59 19.63 196
  60 0.74 7
  61 0.3 3
  67 0.4 4
  68 0.35 4
  69 3.16 32
  70 3.53 35
  71 9.07 91
  72 0.55 6
  73 1.4 14
  74 99.99 999
  75 5.01 50
  76 0.49 5
  83 0.58 6
  87 28.7 287
  88 3.83 38
  89 0.28 3
  97 0.53 5
  98 0.51 5
  99 17.65 177
  100 1.13 11
  101 7.15 72
  102 0.49 5
  130 0.59 6
  131 0.43 4
//