ACCESSION: MSBNK-Keio_Univ-KO002439
RECORD_TITLE: Benzamide; 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 B009

CH$NAME: Benzamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇NO
CH$EXACT_MASS: 121.05276
CH$SMILES: NC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
CH$LINK: CAS 55-21-0
CH$LINK: KEGG C09815
CH$LINK: NIKKAJI J1.374I
CH$LINK: PUBCHEM SID:12003
CH$LINK: INCHIKEY KXDAEFPNCMNJSK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021709

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$FOCUSED_ION: PRECURSOR_M/Z 122
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a6r-8900000000-d40d6a968a8a706e6500
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  43.400 54455.5 60
  44.900 59406.0 66
  53.500 49505.0 55
  62.800 39604.0 44
  68.900 356436.0 395
  76.900 123762.5 137
  77.300 19802.0 22
  78.800 623763.0 692
  86.300 49505.0 55
  87.000 99010.0 110
  93.700 24752.5 27
  104.000 14851.5 16
  105.100 900991.0 999
  107.300 163366.5 181
  122.100 455446.0 505
//