MassBank Record: AU200310

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2-Aminobenzimidazole; LC-ESI-QTOF; MS2; HILIC; CE: 40 eV; R=35000; [M+H]+
Mass Spectrum
Chemical Structure
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ACCESSION: AU200310
RECORD_TITLE: 2-Aminobenzimidazole; LC-ESI-QTOF; MS2; HILIC; CE: 40 eV; R=35000; [M+H]+
DATE: 2016.02.26
AUTHORS: Nikiforos Alygizakis, Nikolaos Thomaidis, University of Athens
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2016 Department of Chemistry, University of Athens
COMMENT: CONFIDENCE standard compound
COMMENT: INTERNAL_ID 2003

CH$NAME: 2-Aminobenzimidazole CH$NAME: 1H-benzimidazol-2-amine CH$COMPOUND_CLASS: N/A; Environmental Standard CH$FORMULA: C7H7N3 CH$EXACT_MASS: 133.0639972 CH$SMILES: c1ccc2c(c1)[nH]c(=N)[nH]2 CH$IUPAC: InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10) CH$LINK: CAS 934-32-7 CH$LINK: CHEBI 27822 CH$LINK: PUBCHEM CID:13624 CH$LINK: INCHIKEY JWYUFVNJZUSCSM-UHFFFAOYSA-N CH$LINK: CHEMSPIDER 13035 CH$LINK: COMPTOX DTXSID1024465
AC$INSTRUMENT: Bruker maXis Impact AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV AC$MASS_SPECTROMETRY: RESOLUTION 35000 AC$CHROMATOGRAPHY: COLUMN_NAME ACQUITY UPLC BEH Amide 1.7 um 2.1x100mm, Waters AC$CHROMATOGRAPHY: FLOW_GRADIENT 0/100 at 0-2 min, 95/5 at 12 min, 95/5 at 17 min, 0/100 at 17.1, 0/100 at 25 min AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min AC$CHROMATOGRAPHY: RETENTION_TIME 6.582 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.01% formic acid and 1mM ammonium formate AC$CHROMATOGRAPHY: SOLVENT B Acetonitrile:WATER 95:5 with 0.01% formic acid and 1mM ammonium formate
MS$FOCUSED_ION: BASE_PEAK 134.0723 MS$FOCUSED_ION: PRECURSOR_M/Z 134.0713 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: RECALIBRATE identity on assigned fragments and MS1 MS$DATA_PROCESSING: WHOLE RMassBank 1.99.10
PK$SPLASH: splash10-001i-0900000000-21ccac515ebe8555b558 PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm) 117.0454 C7H5N2+ 1 117.0447 5.83 118.0522 C7H6N2+ 1 118.0525 -3.19 132.0571 C7H6N3+ 1 132.0556 11.29 133.0635 C7H7N3+ 1 133.0634 0.16 134.0716 C7H8N3+ 1 134.0713 2.72 135.0752 C6[13]CH8N3+ 1 135.0752 -0.02 PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 117.0454 1772 67 118.0522 1012 38 132.0571 636 24 133.0635 10968 415 134.0716 26388 999 135.0752 2384 90 //