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MassBank Record: KO003791

Primidone; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO003791
RECORD_TITLE: Primidone; 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 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 40 V

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

PK$SPLASH: splash10-0aou-9400000000-e6ac3896e41d100eb94d
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  57.300 19802.0 78
  58.300 252475.5 999
  69.000 44554.5 176
  90.900 183168.5 725
  104.700 19802.0 78
  106.300 29703.0 118
  112.500 29703.0 118
  117.100 69307.0 274
  119.100 44554.5 176
  120.800 29703.0 118
  126.900 9901.0 39
  133.800 9901.0 39
  175.400 24752.5 98
//

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