ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008854
RECORD_TITLE: 4-HYDROXY-2-BUTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: 4-HYDROXY-2-BUTANONE
CH$NAME: HYDROXYETHYL METHYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₈O₂
CH$EXACT_MASS: 88.05243
CH$SMILES: OCCC(C)=O
CH$IUPAC: InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3
CH$LINK: INCHIKEY LVSQXDHWDCMMRJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4060442

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0006-9000000000-7280da5a63dca61cb6f6
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  14 1.68 17
  15 9.25 93
  26 2.35 24
  27 10.72 107
  28 6.7 67
  29 7.37 74
  30 1.21 12
  31 13.27 133
  39 3.42 34
  41 5.29 53
  42 10.32 103
  43 99.99 999
  44 3.69 37
  45 8.04 80
  55 14.41 144
  57 4.02 40
  58 4.96 50
  61 10.66 107
  69 2.01 20
  70 19.37 194
  71 3.62 36
  73 5.7 57
  74 1.27 13
  87 1.27 13
  88 4.83 48
//