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MassBank Record: KO003790

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

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

ACCESSION: KO003790
RECORD_TITLE: Primidone; 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 P061

CH$NAME: Primidone
CH$NAME: 5-Phenyl-5-ethyl-Hexahydropyrimidine-4,6-dione
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H14N2O2
CH$EXACT_MASS: 218.10553
CH$SMILES: CCC(C(=O)2)(C(=O)NCN2)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)
CH$LINK: CAS 125-33-7
CH$LINK: KEGG C07371
CH$LINK: NIKKAJI J3.260C
CH$LINK: PUBCHEM SID:9575
CH$LINK: INCHIKEY DQMZLTXERSFNPB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7023510

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$FOCUSED_ION: PRECURSOR_M/Z 219
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-1000-7940000000-13c974e8220bfde7b936
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  58.100 306931.0 999
  69.300 39604.0 129
  71.300 29703.0 97
  72.800 9901.0 32
  82.100 29703.0 97
  87.800 24752.5 81
  91.100 133663.5 435
  98.100 39604.0 129
  104.200 292079.5 951
  106.500 34653.5 113
  114.800 14851.5 48
  117.100 59406.0 193
  119.000 103960.5 338
  121.500 29703.0 97
  122.900 24752.5 81
  134.400 19802.0 64
  144.900 24752.5 81
  160.900 79208.0 258
  165.800 19802.0 64
  203.500 153465.5 500
  219.200 207921.0 677
//

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