MassBank Record: KO002432

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

Mass Spectrum
Chemical Structure
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ACCESSION: KO002432
RECORD_TITLE: Benzamidine; 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 B004

CH$NAME: Benzamidine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8N2
CH$EXACT_MASS: 120.068749999999994315658113919198513031005859375
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: COMPTOX DTXSID8045012
CH$LINK: INCHIKEY PXXJHWLDUBFPOL-UHFFFAOYSA-N
CH$LINK: KEGG C01784
CH$LINK: NIKKAJI J95.743G
CH$LINK: PUBCHEM SID:4914

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

PK$SPLASH: splash10-004i-9000000000-5410209d56f3f9a748fb
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  43.000 500000.5 8
  51.100 11054466.5 167
  68.900 44554.5 1
  74.100 19802.0 1
  75.100 108911.0 2
  76.000 54455.5 1
  77.000 66148581.0 999
  77.800 19802.0 1
  84.800 54455.5 1
  95.200 2732676.0 41
  102.300 64356.5 1
  102.700 49505.0 1
  104.200 3955449.5 60
  105.000 99010.0 1
  120.900 14851.5 1
//