ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007185
RECORD_TITLE: BUTYL VALERATE; 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$NAME: BUTYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₂
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCOC(=O)CCCC
CH$IUPAC: InChI=1S/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY OKJADYKTJJGKDX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3060455

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$SPLASH: splash10-0a4r-9100000000-da6ad2858de2212d672c
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  15 1.07 11
  26 1.81 18
  27 25.4 254
  29 52.19 522
  30 1.28 13
  31 2.01 20
  39 14.53 145
  41 56.15 562
  42 6.94 69
  43 8.86 89
  45 2.3 23
  53 1.59 16
  54 1.03 10
  55 16.12 161
  56 81.47 815
  57 80.93 809
  58 3.29 33
  59 1.02 10
  60 24.37 244
  61 6.61 66
  73 16.8 168
  74 1.22 12
  75 4.25 43
  83 1.03 10
  85 99.99 999
  86 7.44 74
  87 2 20
  101 2.3 23
  102 3.81 38
  103 70.12 701
  104 4.22 42
  115 2.04 20
  116 3.57 36
//