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MassBank Record: KO003045

2-Guanidinobenzimidazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003045
RECORD_TITLE: 2-Guanidinobenzimidazole; 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 G101

CH$NAME: 2-Guanidinobenzimidazole
CH$NAME: 2-Benzimidazolylguanidine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H9N5
CH$EXACT_MASS: 175.08580
CH$SMILES: C1=CC=C2C(=C1)NC(=N2)N=C(N)N
CH$IUPAC: InChI=1S/C8H9N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H5,9,10,11,12,13)
CH$LINK: CAS 5418-95-1
CH$LINK: KEGG C10898
CH$LINK: NIKKAJI J217.997K
CH$LINK: PUBCHEM SID:13081
CH$LINK: INCHIKEY JJWCTKUQWXYIIU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6063858

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$FOCUSED_ION: PRECURSOR_M/Z 176
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-001i-0900000000-f71ee428cd45408fd449
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  36.200 49505.0 1
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  97.000 39604.0 1
  98.900 118812.0 1
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  113.400 148515.0 1
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  123.200 193069.5 1
  126.200 59406.0 1
  127.300 34653.5 1
  131.800 143564.5 1
  134.100 216812098.0 999
  141.300 336634.0 2
  143.700 19802.0 1
  159.200 52549557.5 242
  173.200 9901.0 1
  175.300 74257.5 1
  176.300 106178324.0 489
//

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