ACCESSION: MSBNK-Keio_Univ-KO002430
RECORD_TITLE: Benzamidine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-0udi-2900000000-2b530c59456934dea18c
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  22.700 19802.0 1
  43.200 311881.5 1
  50.900 64356.5 1
  57.400 24752.5 1
  61.400 49505.0 1
  71.200 29703.0 1
  71.700 39604.0 1
  77.100 78554534.0 294
  79.000 29703.0 1
  80.300 24752.5 1
  84.900 64356.5 1
  93.200 39604.0 1
  95.000 7722780.0 29
  95.700 29703.0 1
  99.000 24752.5 1
  101.800 44554.5 1
  102.800 69307.0 1
  104.100 267104227.5 999
  104.900 193069.5 1
  111.100 14851.5 1
  113.100 34653.5 1
  120.000 64356.5 1
  121.200 8886147.5 33
  122.400 396040.0 1
  143.000 9901.0 1
  148.900 14851.5 1
  153.400 14851.5 1
  199.200 24752.5 1
//