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MassBank Record: JP001835

1,4-BUTANEDIOL; EI-B; MS

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

ACCESSION: 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

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

MS$FOCUSED_ION: ION_TYPE [M]+*

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
//

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