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MassBank Record: KO002438

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

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

ACCESSION: KO002438
RECORD_TITLE: Benzamide; 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 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 10 V

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

PK$SPLASH: splash10-00di-1900000000-c6e30a6a9805ba36fc2a
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  49.900 787129.5 58
  55.100 24752.5 2
  62.900 99010.0 7
  63.200 89109.0 7
  68.000 44554.5 3
  68.800 277228.0 20
  72.600 44554.5 3
  76.400 29703.0 2
  77.100 34653.5 3
  79.200 212871.5 16
  81.100 148515.0 11
  87.000 504951.0 37
  90.300 74257.5 5
  104.200 79208.0 6
  105.100 1188120.0 87
  122.200 13668330.5 999
  140.100 133663.5 10
//

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