MassBank Record: JP009175

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PROPIONIC ACID; EI-B; MS

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

ACCESSION: JP009175
RECORD_TITLE: PROPIONIC ACID; 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$NAME: PROPIONIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H6O2
CH$EXACT_MASS: 74.03678
CH$SMILES: CCC(O)=O
CH$IUPAC: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
CH$LINK: INCHIKEY XBDQKXXYIPTUBI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8025961

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$SPLASH: splash10-004i-9000000000-691dcd080b30c9898350
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  14 2.63 26
  15 3.04 30
  17 1.1 11
  18 3.47 35
  25 2.69 27
  26 24.73 247
  27 70.66 707
  28 99.99 999
  29 79.1 791
  30 10.99 110
  31 4.36 44
  41 1.08 11
  42 4.13 41
  43 2.28 23
  44 1.64 16
  45 52.06 521
  46 3.72 37
  47 2.49 25
  53 1.95 20
  55 9.19 92
  56 7.86 79
  57 24.31 243
  58 1.13 11
  73 33.9 339
  74 53.54 535
  75 1.6 16
//