MassBank Record: KO002754



 5,6-Dimethylbenzimidazol; 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: KO002754
RECORD_TITLE: 5,6-Dimethylbenzimidazol; 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 D087

CH$NAME: 5,6-Dimethylbenzimidazol CH$NAME: Dimethylbenzimidazole CH$NAME: 5,6-Dimethylbenzimidazole CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H10N2 CH$EXACT_MASS: 146.08440 CH$SMILES: CC1=CC2=C(C=C1C)N=CN2 CH$IUPAC: InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11) CH$LINK: CAS 582-60-5 CH$LINK: CHEBI 15890 CH$LINK: CHEMPDB DMD CH$LINK: KEGG C03114 CH$LINK: NIKKAJI J69.209C CH$LINK: PUBCHEM SID:6009
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 147 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000t-1900000000-286b3359932c2c63dc23 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 40.900 34653.5 2 51.000 74257.5 4 54.300 54455.5 3 56.200 297030.0 14 63.400 29703.0 1 65.000 118812.0 6 66.300 49505.0 2 77.000 1930695.0 94 78.000 361386.5 18 79.100 113861.5 6 80.200 148515.0 7 83.000 366337.0 18 84.100 371287.5 18 89.000 69307.0 3 90.100 49505.0 2 90.800 658416.5 32 93.100 163366.5 8 101.100 19802.0 1 102.700 59406.0 3 104.000 628713.5 31 105.300 133663.5 6 114.100 19802.0 1 116.900 54455.5 3 118.300 79208.0 4 119.900 44554.5 2 128.000 24752.5 1 130.100 8074265.5 392 131.200 3891093.0 189 131.800 400990.5 19 145.200 188119.0 9 146.500 99010.0 5 147.000 20584179.0 999 //