ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006243
RECORD_TITLE: METHYL HEPTANOATE; 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$NAME: METHYL HEPTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₂
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3
CH$LINK: CAS 106-73-0
CH$LINK: INCHIKEY XNCNNDVCAUWAIT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3059345

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$SPLASH: splash10-00dl-9000000000-b22b78ab2aec3bc4e207
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  39 5.92 59
  40 1.59 16
  41 33.83 338
  42 7.65 77
  43 41.22 412
  44 1.72 17
  45 2.14 21
  53 1.4 14
  54 0.82 8
  55 15.79 158
  56 4.45 45
  57 5.43 54
  58 0.42 4
  59 14.97 150
  60 0.56 6
  61 0.3 3
  67 0.65 7
  68 1.08 11
  69 4.51 45
  70 1.15 12
  71 0.63 6
  73 2.41 24
  74 99.99 999
  75 6.48 65
  76 0.53 5
  83 1.7 17
  84 3.68 37
  85 3.19 32
  86 0.21 2
  87 30.6 306
  88 3.65 37
  89 0.25 3
  94 0.14 1
  95 0.37 4
  97 0.41 4
  99 0.36 4
  101 10.92 109
  102 0.74 7
  111 0.29 3
  112 0.14 1
  113 11.21 112
  114 0.84 8
  115 2.26 23
  116 0.22 2
  129 0.16 2
  144 0.67 7
  145 0.55 6
//