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MassBank Record: JP001841

1,2-PROPANEDIOL; EI-B; MS

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

ACCESSION: JP001841
RECORD_TITLE: 1,2-PROPANEDIOL; 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$NAME: 1,2-PROPANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H8O2
CH$EXACT_MASS: 76.05243
CH$SMILES: OCC(C)O
CH$IUPAC: InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
CH$LINK: INCHIKEY DNIAPMSPPWPWGF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021206

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$SPLASH: splash10-0002-9000000000-a18bede40461dace657b
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  15 6.13 61
  19 6.55 66
  26 1.11 11
  27 10.45 105
  28 3.62 36
  29 8.84 88
  31 11.49 115
  33 1.53 15
  39 1 10
  41 1.95 20
  42 1.95 20
  43 14.83 148
  44 5.71 57
  45 99.99 999
  46 2.44 24
  57 2.09 21
  61 4.39 44
//

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