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MassBank Record: KO003222

Imidazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO003222
RECORD_TITLE: Imidazole; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-014i-9000000000-76b001eeacbb900271fa
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  32.900 39604.0 1
  36.500 153465.5 1
  46.100 49505.0 1
  49.900 103960.5 1
  51.100 153465.5 1
  69.100 134049639.0 999
  463.400 24752.5 1
//

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