ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004279
RECORD_TITLE: (Z)-2-BUTEN-1,4-DIOL; 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$NAME: (Z)-2-BUTEN-1,4-DIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₈O₂
CH$EXACT_MASS: 88.05243
CH$SMILES: OCC([H])=C([H])CO
CH$IUPAC: InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1-
CH$LINK: CAS 6117-80-2
CH$LINK: INCHIKEY ORTVZLZNOYNASJ-UPHRSURJSA-N

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$SPLASH: splash10-0006-9000000000-2fe127f45bcb84fc131a
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  15 3.01 30
  19 2.33 23
  26 9.02 90
  27 35.34 353
  28 15.04 150
  29 46.62 466
  30 4.14 41
  31 28.5 285
  37 7.89 79
  38 12.56 126
  39 99.99 999
  40 20.3 203
  41 72.33 723
  42 81.8 818
  43 29.32 293
  44 18.2 182
  45 8.2 82
  47 7.14 71
  49 2.1 21
  50 7.89 79
  51 7.52 75
  52 3.46 35
  53 14.66 147
  54 19.55 196
  55 10.9 109
  56 3.61 36
  57 34.74 347
  58 9.4 94
  68 5.26 53
  69 13.68 137
  70 18.65 187
  71 6.77 68
//