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MassBank Record: KO002440

Benzamide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO002440
RECORD_TITLE: Benzamide; 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 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 30 V

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

PK$SPLASH: splash10-004i-9200000000-e4b0272643ae9f111021
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  22.700 29703.0 41
  44.100 133663.5 183
  68.900 84158.5 116
  77.200 727723.5 999
  79.000 272277.5 374
  93.000 44554.5 61
  95.200 94059.5 129
  102.700 14851.5 20
  105.100 287129.0 394
  106.000 74257.5 102
  106.800 54455.5 75
//

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