MassBank Record: JP005407

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ALLYL ALCOHOL; EI-B; MS

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

ACCESSION: JP005407
RECORD_TITLE: ALLYL ALCOHOL; 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$NAME: ALLYL ALCOHOL
CH$NAME: 2-PROPEN-1-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H6O
CH$EXACT_MASS: 58.04186
CH$SMILES: C=CCO
CH$IUPAC: InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
CH$LINK: INCHIKEY XXROGKLTLUQVRX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8020044

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$SPLASH: splash10-0a7i-9000000000-dace94bd535c06f6ec98
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  15 2.68 27
  18 4.23 42
  26 9.87 99
  27 26.85 269
  28 14.21 142
  29 47.65 477
  30 19.27 193
  31 41.66 417
  37 3.11 31
  38 4.7 47
  39 26.56 266
  40 8.81 88
  41 6.76 68
  43 4.41 44
  55 5.11 51
  56 1.18 12
  57 99.99 999
  58 20.09 201
  59 1.18 12
//