ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006986
RECORD_TITLE: PROPYL HEXANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: PROPYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₂
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCCC(=O)OCCC
CH$IUPAC: InChI=1S/C9H18O2/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY HTUIWRWYYVBCFT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3060823

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9100000000-78e2f22b459e7b745a6c
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  15 1.76 18
  26 2.13 21
  27 40.12 401
  29 27.59 276
  30 1.14 11
  31 4.44 44
  39 17.81 178
  41 49.71 497
  42 30.48 305
  43 99.99 999
  44 2.09 21
  45 3.74 37
  53 1.47 15
  55 14.94 149
  56 2.6 26
  57 2.56 26
  59 6.99 70
  60 41.71 417
  61 42.18 422
  69 6.15 62
  70 4.68 47
  71 23.73 237
  72 1.47 15
  73 20.8 208
  74 2.18 22
  75 1.88 19
  83 1.07 11
  87 10.86 109
  89 4.06 41
  99 67.43 674
  100 4.01 40
  102 9.91 99
  115 2.2 22
  116 1.86 19
  117 50.65 507
  118 2.35 24
  129 1.18 12
//