ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009176
RECORD_TITLE: CROTONIC 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$NAME: CROTONIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₆O₂
CH$EXACT_MASS: 86.03678
CH$SMILES: CC=CC(O)=O
CH$IUPAC: InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
CH$LINK: INCHIKEY LDHQCZJRKDOVOX-NSCUHMNNSA-N
CH$LINK: COMPTOX DTXSID30880973

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$SPLASH: splash10-000l-9000000000-c066ee0b8aa28cc564f5
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  14 1.29 13
  15 5.87 59
  18 2 20
  25 1.41 14
  26 8.59 86
  27 17.52 175
  28 1.72 17
  29 9.82 98
  30 1.2 12
  31 2.55 26
  36 1.48 15
  37 13.25 133
  38 24.6 246
  39 99.99 999
  40 27.32 273
  41 88.95 890
  42 13.81 138
  43 6.99 70
  44 1.98 20
  45 28.28 283
  53 2.84 28
  55 2.09 21
  57 6.71 67
  58 1.76 18
  60 2.17 22
  68 36.18 362
  69 38.11 381
  70 1.33 13
  71 11.89 119
  85 2.4 24
  86 90.05 901
  87 4.62 46
//