ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002033
RECORD_TITLE: 5-ACETYLPYRIMIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 5-ACETYLPYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆N₂O
CH$EXACT_MASS: 122.04801
CH$SMILES: CC(=O)c(c1)cncn1
CH$IUPAC: InChI=1S/C6H6N2O/c1-5(9)6-2-7-4-8-3-6/h2-4H,1H3
CH$LINK: INCHIKEY COTYNDRSENVEFI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60341325

AC$INSTRUMENT: MS-902
AC$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$SPLASH: splash10-0a4i-8900000000-7db97e237537356d8741
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  37 1.7 17
  38 2.2 22
  39 2.9 29
  40 0.12 1
  42 3.7 37
  43 40.3 403
  44 1 10
  50 0.12 1
  51 6.4 64
  52 26.4 264
  53 16.6 166
  79 5.18 52
  80 8.3 83
  107 99.99 999
  108 6.7 67
  122 6.58 66
  123 5.6 56
//