MassBank Record: JP005852

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PROPIONIC ACID; EI-B; MS

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

ACCESSION: JP005852
RECORD_TITLE: PROPIONIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-004i-9000000000-51f674be972a6c17185b
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  14 2.54 25
  15 3.44 34
  25 3.08 31
  26 21.01 210
  27 59.78 598
  28 99.99 999
  29 83.51 835
  30 16.49 165
  31 4.17 42
  42 3.26 33
  43 2.54 25
  44 1.09 11
  45 49.64 496
  46 4.89 49
  47 2.9 29
  53 1.63 16
  55 11.78 118
  56 10.87 109
  57 24.64 246
  73 43.84 438
  74 69.93 699
  75 2.9 29
//