MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009717

1,3-BUTANEDIOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009717
RECORD_TITLE: 1,3-BUTANEDIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: 1,3-BUTANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₁₀O₂
CH$EXACT_MASS: 90.06808
CH$SMILES: OCCC(C)O
CH$IUPAC: InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
CH$LINK: INCHIKEY PUPZLCDOIYMWBV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8026773

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0007-9000000000-8ebe37c5aa22df7ae557
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 5.98 60
  28 24.44 244
  29 18.47 185
  31 13.43 134
  39 1.05 11
  41 6.93 69
  42 14.14 141
  43 99.99 999
  44 23.75 238
  45 90.49 905
  46 5.95 60
  47 2.56 26
  54 1.09 11
  55 3.6 36
  57 29.25 293
  58 1.29 13
  71 2.85 29
  72 40.92 409
  73 2.45 25
  75 13.05 131
  90 0.22 2
//