ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009981
RECORD_TITLE: 2-METHYLPROPANE-1,3-DIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 2-METHYLPROPANE-1,3-DIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H10O2
CH$EXACT_MASS: 90.06808
CH$SMILES: OCC(C)CO
CH$IUPAC: InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3
CH$LINK: INCHIKEY QWGRWMMWNDWRQN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3029231
AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0006-9000000000-65f6c7dc45d51ea5a1d1
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  26 2.6 26
  27 17.4 174
  28 11.4 114
  29 3.18 32
  30 3.4 34
  31 79.2 792
  32 1.8 18
  39 1.63 16
  40 7.1 71
  41 61.1 611
  42 99.99 999
  43 3.42 34
  44 7.5 75
  45 5.4 54
  47 2.3 23
  49 2.2 22
  54 3.9 39
  55 8.2 82
  56 1.7 17
  57 7.75 78
  58 5.9 59
  59 18 180
  60 6.5 65
  70 0.17 2
  71 7.3 73
  72 22.6 226
  73 2.3 23
  75 2.11 21
  87 1.8 18
  89 3 30
  117 1.4 14
//
