MassBank Record: KO002428

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Benzamidine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO002428
RECORD_TITLE: Benzamidine; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-00di-0900000000-b158814d3f09b78fb0ce
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  38.900 34653.5 1
  43.300 59406.0 1
  60.600 34653.5 1
  61.200 282178.5 1
  61.600 19802.0 1
  62.900 2905943.5 3
  72.000 44554.5 1
  73.500 49505.0 1
  77.000 1396041.0 2
  78.300 24752.5 1
  83.300 39604.0 1
  84.900 153465.5 1
  86.100 24752.5 1
  89.100 148515.0 1
  104.100 18396058.0 22
  121.000 836837470.5 999
  122.400 39604.0 1
  138.800 39604.0 1
  185.100 29703.0 1
  199.000 14851.5 1
  221.400 14851.5 1
//