MassBank Record: KO002437



 Benzimidazole; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002437
RECORD_TITLE: Benzimidazole; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID B007

CH$NAME: Benzimidazole CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H6N2 CH$EXACT_MASS: 118.05310 CH$SMILES: C1=CC=C2C(=C1)NC=N2 CH$IUPAC: InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9) CH$LINK: CAS 51-17-2 CH$LINK: CHEBI 3028 CH$LINK: CHEMPDB BZI CH$LINK: KEGG C02009 CH$LINK: NIKKAJI J2.303E CH$LINK: PUBCHEM SID:5105 CH$LINK: INCHIKEY HYZJCKYKOHLVJF-UHFFFAOYSA-N
AC$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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 119 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-9000000000-ec3b4c31062d629a0e89 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 39.100 1668318.5 55 41.300 54455.5 2 51.200 712872.0 23 53.900 64356.5 2 63.000 777228.5 25 65.100 30504981.0 999 66.000 698020.5 23 67.100 49505.0 2 70.700 34653.5 1 74.200 64356.5 2 74.900 331683.5 11 76.000 99010.0 3 77.100 1188120.0 39 77.600 39604.0 1 78.900 29703.0 1 82.900 14851.5 1 89.300 29703.0 1 89.800 168317.0 6 91.000 717822.5 24 91.900 6198026.0 203 93.100 29703.0 1 102.100 212871.5 7 116.800 29703.0 1 118.000 400990.5 13 119.100 1787130.5 59 //