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MassBank Record: JP009144

1,2-PROPANEDIOL; EI-B; MS

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

ACCESSION: JP009144
RECORD_TITLE: 1,2-PROPANEDIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0002-9000000000-6d2345a66e2cf8d2d379
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  15 5.94 59
  19 5.75 58
  26 1.59 16
  27 13.2 132
  28 2.33 23
  29 15.7 157
  30 1.19 12
  31 16.52 165
  33 1.34 13
  39 1.33 13
  41 1.44 14
  42 2.47 25
  43 18.09 181
  44 6.57 66
  45 99.99 999
  46 2.32 23
  57 1.63 16
  61 5.38 54
//

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