ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009186
RECORD_TITLE: 2-METHYLVALERIC ACID; 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$NAME: 2-METHYLVALERIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CCCC(C)C(O)=O
CH$IUPAC: InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
CH$LINK: INCHIKEY OVBFMEVBMNZIBR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9021633

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$SPLASH: splash10-00dl-9000000000-2befc58fc5f43a0d13c2
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  15 1.61 16
  26 2.1 21
  27 23.6 236
  28 5.02 50
  29 15.86 159
  30 2.59 26
  31 1.35 14
  38 1.08 11
  39 14.95 150
  40 1.94 19
  41 26.74 267
  42 5.58 56
  43 47.01 470
  44 1.45 15
  45 9.99 100
  53 1.74 17
  55 9.62 96
  56 5.56 56
  57 1.69 17
  59 1.6 16
  69 2.17 22
  70 1.09 11
  71 6.58 66
  73 14.37 144
  74 99.99 999
  75 3.04 30
  87 14.88 149
  101 2.07 21
//