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MassBank Record: KO003223

Imidazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO003223
RECORD_TITLE: Imidazole; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-014i-9000000000-5398a23c5b95419a1e5b
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  32.800 29703.0 1
  35.100 64356.5 1
  42.100 405941.0 6
  68.100 34653.5 1
  69.200 64193133.5 999
  151.700 29703.0 1
//

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