MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009997

-METHYLBUTANE-1,3-DIOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009997
RECORD_TITLE: -METHYLBUTANE-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

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CH$NAME: -METHYLBUTANE-1,3-DIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂O₂
CH$EXACT_MASS: 104.08373
CH$SMILES: OCC(C)C(C)O
CH$IUPAC: InChI=1S/C5H12O2/c1-4(3-6)5(2)7/h4-7H,3H2,1-2H3
CH$LINK: INCHIKEY GNBPEYCZELNJMS-UHFFFAOYSA-N

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a4i-9000000000-ae5f167807d7a2f8d7ad
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 8 80
  29 7.2 72
  31 29.1 291
  39 0.77 8
  40 2 20
  41 28.3 283
  42 4.5 45
  43 9.28 93
  44 3 30
  45 3.8 38
  53 3.1 31
  55 0.45 5
  56 7.5 75
  57 3 30
  58 20.5 205
  59 99.99 999
  60 4.4 44
  61 2 20
  67 1.6 16
  68 0.23 2
  69 9.7 97
  71 27.7 277
  72 2.2 22
  73 0.48 5
  86 4.5 45
  89 21.1 211
  115 5.3 53
//