ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008905
RECORD_TITLE: METHYL VALERATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00fr-9000000000-d6018f997a3de662f274
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  15 20.5 205
  26 4.1 41
  27 28.6 286
  28 1.26 13
  29 38.1 381
  31 4.7 47
  38 1.4 14
  39 1.5 15
  40 1.9 19
  41 35.1 351
  42 7.1 71
  43 3.83 38
  44 3 30
  45 2.5 25
  50 1 10
  51 0.13 1
  53 2 20
  55 10.6 106
  56 4.9 49
  57 3.73 37
  58 1.6 16
  59 16.9 169
  73 1.7 17
  74 99.99 999
  75 3.7 37
  85 33.7 337
  86 1.9 19
  87 2.89 29
  88 2.9 29
  101 2.1 21
  116 1.5 15
//