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MassBank Record: KO002431

Benzamidine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO002431
RECORD_TITLE: Benzamidine; LC-ESI-QQ; MS2; CE:40 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 B004

CH$NAME: Benzamidine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8N2
CH$EXACT_MASS: 120.06875
CH$SMILES: NC(=N)c(c1)cccc1
CH$IUPAC: InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
CH$LINK: CAS 618-39-3
CH$LINK: KEGG C01784
CH$LINK: NIKKAJI J95.743G
CH$LINK: PUBCHEM SID:4914
CH$LINK: INCHIKEY PXXJHWLDUBFPOL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8045012

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 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 121
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-004i-9200000000-84a7beba87c4fb5bb62b
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  43.200 465347.0 3
  51.100 3143567.5 20
  52.900 59406.0 1
  57.000 24752.5 1
  65.000 29703.0 1
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  75.100 79208.0 1
  77.100 160391249.5 999
  79.400 24752.5 1
  82.800 9901.0 1
  85.000 44554.5 1
  95.100 10673278.0 66
  96.900 54455.5 1
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  104.100 56866393.5 354
  105.300 237624.0 1
  112.300 34653.5 1
  118.800 24752.5 1
  121.300 202970.5 1
  122.400 79208.0 1
  124.800 24752.5 1
  155.200 14851.5 1
//

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