ACCESSION: MSBNK-Keio_Univ-KO003225
RECORD_TITLE: Imidazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID I046

CH$NAME: Imidazole
CH$NAME: Glyoxaline
CH$NAME: 1,3-Diazole
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₄N₂
CH$EXACT_MASS: 68.03745
CH$SMILES: C1=CN=CN1
CH$IUPAC: InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)
CH$LINK: CAS 288-32-4
CH$LINK: CHEBI 16069
CH$LINK: CHEMPDB IMD
CH$LINK: KEGG C01589
CH$LINK: NIKKAJI J2.566F
CH$LINK: PUBCHEM SID:4744
CH$LINK: INCHIKEY RAXXELZNTBOGNW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2029616

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 69
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-014i-9000000000-9dad13fc804c087084a8
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  25.300 29703.0 12
  41.500 54455.5 21
  42.200 668317.5 259
  69.000 2574260.0 999
  106.900 59406.0 23
  118.700 14851.5 6
  191.300 79208.0 31
//