MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007021

1,4-BUTANEDIOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007021
RECORD_TITLE: 1,4-BUTANEDIOL; 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

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CH$NAME: 1,4-BUTANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₁₀O₂
CH$EXACT_MASS: 90.06808
CH$SMILES: OCCCCO
CH$IUPAC: InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
CH$LINK: INCHIKEY WERYXYBDKMZEQL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2024666

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0006-9000000000-e73d0286021e82006c29
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 2.72 27
  19 2.27 23
  26 2.79 28
  27 22.64 226
  28 5.99 60
  29 22.53 225
  30 1.88 19
  31 97.35 974
  32 1.46 15
  38 1.08 11
  39 13.08 131
  40 6.52 65
  41 39.77 398
  42 99.99 999
  43 20.35 204
  44 86.52 865
  45 5.4 54
  53 1.81 18
  54 1.01 10
  55 1.89 19
  57 21.84 218
  60 3.28 33
  62 2.23 22
  71 23.05 231
  72 7.31 73
//