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MassBank Record: JP009718

1,4-BUTANEDIOL; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP009718
RECORD_TITLE: 1,4-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

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

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-798a32748fa78ba29b8e
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 5.3 53
  28 1.12 11
  29 5.57 56
  31 51.39 514
  32 1.05 11
  33 1 10
  39 2.07 21
  40 3.38 34
  41 25.25 253
  42 99.99 999
  43 16.03 160
  44 88.04 880
  45 4.08 41
  53 1.16 12
  54 1.13 11
  55 1.96 20
  57 18.73 187
  58 1.17 12
  59 1.01 10
  60 4.31 43
  62 2.99 30
  72 7.66 77
  73 1.35 14
  90 0.11 1
//

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