ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007181
RECORD_TITLE: METHYL 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$NAME: METHYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CCCCC(=O)OC
CH$IUPAC: InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3
CH$LINK: INCHIKEY HNBDRPTVWVGKBR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9060784

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$SPLASH: splash10-05ic-9000000000-ea14ad55305a1e4329ac
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 14.89 149
  26 3.39 34
  27 23.82 238
  29 32.26 323
  30 1.16 12
  31 4.09 41
  38 1.02 10
  39 14.14 141
  41 32.89 329
  42 8.47 85
  43 36.73 367
  44 2.23 22
  45 3.39 34
  53 1.53 15
  55 14.07 141
  56 6.65 67
  57 35.66 357
  58 1.38 14
  59 22.61 226
  73 1.13 11
  74 99.99 999
  75 3.56 36
  85 34.21 342
  86 1.4 14
  87 31.04 310
  88 2.34 23
  101 1.62 16
//