ACCESSION: MSBNK-Keio_Univ-KO002114
RECORD_TITLE: 2-Aminobenzimidazole; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-001i-0900000000-344a726cc218989074d6
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  40.600 34653.5 1
  42.700 44554.5 1
  43.200 202970.5 1
  44.000 123762.5 1
  46.200 24752.5 1
  56.000 386139.0 1
  57.300 2490101.5 5
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  65.300 207921.0 1
  66.000 183168.5 1
  67.200 24752.5 1
  70.100 1628714.5 3
  71.200 183168.5 1
  71.900 227723.0 1
  73.100 108911.0 1
  74.200 480198.5 1
  74.800 188119.0 1
  76.200 123762.5 1
  76.800 9901.0 1
  79.100 158416.0 1
  79.800 148515.0 1
  80.700 34653.5 1
  83.100 99010.0 1
  84.100 465347.0 1
  85.100 2514854.0 5
  86.400 118812.0 1
  87.200 297030.0 1
  88.100 579208.5 1
  88.700 311881.5 1
  91.900 12133675.5 25
  93.100 2148517.0 4
  99.200 1232674.5 3
  100.300 24752.5 1
  101.700 237624.0 1
  103.100 861387.0 2
  103.600 29703.0 1
  105.000 366337.0 1
  107.000 3227726.0 7
  108.000 1019803.0 2
  114.700 19802.0 1
  116.300 4084162.5 8
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  118.000 103960.5 1
  120.200 89109.0 1
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  125.200 29703.0 1
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  133.300 3128716.0 7
  134.100 480119292.0 999
  134.900 212871.5 1
  149.100 2871290.0 6
  150.100 44554.5 1
  166.200 89109.0 1
  166.500 9901.0 1
  193.200 84158.5 1
//