MassBank Record: KO003048

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2-Guanidinobenzimidazole; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: KO003048
RECORD_TITLE: 2-Guanidinobenzimidazole; LC-ESI-QQ; MS2; CE:50 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$EXACT_MASS: 175.08580000000000609361450187861919403076171875
CH$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$LINK: COMPTOX DTXSID6063858
CH$LINK: INCHIKEY JJWCTKUQWXYIIU-UHFFFAOYSA-N
CH$LINK: KEGG C10898
CH$LINK: NIKKAJI J217.997K
CH$LINK: PUBCHEM SID:13081

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 50 V

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

PK$SPLASH: splash10-0a4l-9000000000-b7fd609f2bf6e6145d54
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  38.900 44554.5 187
  43.000 79208.0 333
  44.700 44554.5 187
  58.200 237624.0 999
//