MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001835

1,4-BUTANEDIOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001835
RECORD_TITLE: 1,4-BUTANEDIOL; 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

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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$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0006-9000000000-1c3e5028147c04eef039
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  27 8.97 90
  29 10.65 107
  30 2.1 21
  31 54.53 545
  39 9.31 93
  40 5.12 51
  41 37.5 375
  42 99.99 999
  43 21.81 218
  44 67.03 670
  45 4.03 40
  55 2.52 25
  57 6.8 68
  60 1.17 12
  71 4.03 40
//