ACCESSION: MSBNK-Keio_Univ-KO002441
RECORD_TITLE: Benzamide; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-004i-9100000000-c34f0e594deb730ca6b7
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  43.000 19802.0 33
  44.000 108911.0 180
  50.700 24752.5 41
  77.100 603961.0 999
  79.000 49505.0 82
  80.400 19802.0 33
  104.600 34653.5 57
  106.200 84158.5 139
//