ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007225
RECORD_TITLE: ETHYL 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$NAME: ETHYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₂
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCCC(=O)OCC
CH$IUPAC: InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3
CH$LINK: INCHIKEY ICMAFTSLXCXHRK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6040161

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$SPLASH: splash10-002r-9000000000-909ffa0990cafcc628c8
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  15 2.74 27
  26 4.88 49
  27 44.18 442
  28 18.59 186
  29 94.44 944
  30 2.24 22
  31 2.66 27
  38 1.23 12
  39 16.4 164
  40 1.98 20
  41 43.73 437
  42 12.45 125
  43 13.93 139
  44 1.51 15
  45 20.12 201
  51 1.02 10
  53 2.3 23
  55 15.95 160
  56 10.89 109
  57 67.19 672
  58 3.1 31
  59 2.16 22
  60 46.01 460
  61 23.51 235
  70 17.27 173
  73 25.23 252
  74 2.48 25
  83 1.85 19
  84 1.22 12
  85 88.36 884
  86 4.15 42
  87 2.32 23
  88 99.99 999
  89 3.66 37
  101 24.8 248
  102 2.76 28
  103 7.16 72
  115 1.88 19
  130 1.89 19
//