ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009181
RECORD_TITLE: 2-METHYLBUTYRIC 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$NAME: 2-METHYLBUTYRIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₀O₂
CH$EXACT_MASS: 102.06808
CH$SMILES: CCC(C)C(O)=O
CH$IUPAC: InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
CH$LINK: INCHIKEY WLAMNBDJUVNPJU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5021621

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$SPLASH: splash10-05i3-9000000000-0aaa78177c0a6f4e0f30
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  15 2.71 27
  16 1.05 11
  26 4.86 49
  27 32.67 327
  28 9.93 99
  29 57.56 576
  30 3.04 30
  31 2.06 21
  38 1.86 19
  39 18.46 185
  40 2.17 22
  41 57.52 575
  42 3.87 39
  43 4.05 41
  45 14.44 144
  46 1.07 11
  50 1.73 17
  51 1.51 15
  53 2.17 22
  55 7.77 78
  56 9.04 90
  57 58.1 581
  58 2.39 24
  59 2.19 22
  60 2.92 29
  69 4.21 42
  73 11.81 118
  74 99.99 999
  75 2.99 30
  87 22.71 227
  88 1.08 11
//