ACCESSION: MSBNK-Keio_Univ-KO002113
RECORD_TITLE: 2-Aminobenzimidazole; 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 A042

CH$NAME: 2-Aminobenzimidazole
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇N₃
CH$EXACT_MASS: 133.06400
CH$SMILES: C1=CC=C2C(=C1)NC(=N2)N
CH$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: KEGG C10901
CH$LINK: NIKKAJI J3.655B
CH$LINK: PUBCHEM SID:13084
CH$LINK: INCHIKEY JWYUFVNJZUSCSM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1024465

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$FOCUSED_ION: PRECURSOR_M/Z 134
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-001i-0900000000-d59373216fd933d2efa1
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  35.900 29703.0 1
  50.000 54455.5 1
  57.200 89109.0 1
  58.100 2500002.5 3
  61.100 24752.5 1
  66.200 39604.0 1
  70.200 103960.5 1
  74.000 886139.5 1
  75.300 158416.0 1
  79.800 108911.0 1
  80.900 89109.0 1
  83.300 123762.5 1
  84.100 183168.5 1
  85.300 475248.0 1
  88.200 84158.5 1
  91.900 326733.0 1
  93.200 64356.5 1
  98.100 103960.5 1
  99.200 3123765.5 4
  102.100 569307.5 1
  102.900 737624.5 1
  105.100 193069.5 1
  106.800 173267.5 1
  107.900 217822.0 1
  111.800 678218.5 1
  116.200 1613863.0 2
  117.000 24579232.5 32
  120.800 54455.5 1
  125.700 21549526.5 28
  126.300 341584.5 1
  133.300 2574260.0 3
  134.100 774471071.5 999
  134.800 415842.0 1
  143.500 54455.5 1
  149.100 1262377.5 2
  150.100 64356.5 1
  152.100 19802.0 1
  159.000 9901.0 1
  166.200 237624.0 1
  168.700 9901.0 1
  193.500 1876239.5 2
  194.200 99010.0 1
  210.200 3361389.5 4
  211.100 297030.0 1
//