ACCESSION: MSBNK-Keio_Univ-KO002429
RECORD_TITLE: Benzamidine; 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 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 20 V

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

PK$SPLASH: splash10-0uk9-0900000000-08ab85bb16d5be272987
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  38.700 24752.5 1
  43.200 158416.0 1
  44.400 19802.0 1
  57.800 24752.5 1
  59.000 24752.5 1
  61.100 128713.0 1
  62.900 519802.5 2
  73.700 14851.5 1
  76.900 2475250.0 9
  86.200 54455.5 1
  89.100 29703.0 1
  95.100 400990.5 2
  102.200 19802.0 1
  104.100 264529967.5 999
  110.900 19802.0 1
  121.000 200846735.5 758
  122.100 391089.5 1
  157.000 14851.5 1
  171.100 39604.0 1
  177.100 9901.0 1
  190.700 34653.5 1
  199.100 34653.5 1
  201.200 24752.5 1
  203.400 24752.5 1
  215.300 9901.0 1
//