MassBank Record: KO002436



 Benzimidazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002436
RECORD_TITLE: Benzimidazole; 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 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
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 119 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014l-9200000000-db09859cc86d414cc704 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 39.100 490099.5 7 41.200 49505.0 1 42.000 24752.5 1 45.500 39604.0 1 51.000 297030.0 4 51.300 74257.5 1 57.200 29703.0 1 63.000 311881.5 4 64.300 366337.0 5 65.100 70183238.5 999 65.900 1118813.0 16 67.000 29703.0 1 71.300 24752.5 1 75.100 371287.5 5 76.900 3113864.5 44 89.900 564357.0 8 90.800 618812.5 9 91.900 50579258.5 720 93.000 49505.0 1 99.100 24752.5 1 102.000 1163367.5 17 110.200 198020.0 3 116.300 39604.0 1 117.900 1069308.0 15 119.300 30514882.0 434 120.300 123762.5 2 //