ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009189
RECORD_TITLE: 2-ETHYLBUTYRIC 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$NAME: 2-ETHYLBUTYRIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CCC(CC)C(O)=O
CH$IUPAC: InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
CH$LINK: INCHIKEY OXQGTIUCKGYOAA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2041418

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$SPLASH: splash10-007c-9000000000-dbe4308a7aba1f8b1fdf
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  15 3.29 33
  26 4.11 41
  27 43.88 439
  28 3.57 36
  29 34.59 346
  31 2.38 24
  38 2.31 23
  39 30.88 309
  40 3.37 34
  41 44.5 445
  42 6.68 67
  43 93.1 931
  44 2.77 28
  45 19.96 200
  51 1.56 16
  53 3.63 36
  54 1.13 11
  55 24.54 245
  56 2.08 21
  57 2.1 21
  59 1.99 20
  60 2.3 23
  68 1.78 18
  69 8.79 88
  70 3.84 38
  71 22.91 229
  72 1.2 12
  73 71.65 717
  74 3.06 31
  87 34.42 344
  88 99.99 999
  89 4.13 41
  101 4.47 45
//