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MassBank Record: KO003788

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

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

ACCESSION: KO003788
RECORD_TITLE: Primidone; 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 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 10 V

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

PK$SPLASH: splash10-0gb9-0790000000-85b9730b3c1a612616dd
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  68.900 34653.5 12
  83.100 39604.0 13
  87.300 39604.0 13
  89.200 24752.5 8
  89.900 19802.0 7
  97.100 9901.0 3
  98.500 34653.5 12
  104.000 1539605.5 517
  104.900 207921.0 70
  111.300 19802.0 7
  113.000 39604.0 13
  115.900 34653.5 12
  121.000 316832.0 106
  123.000 29703.0 10
  131.700 24752.5 8
  132.700 24752.5 8
  137.400 29703.0 10
  141.100 64356.5 22
  142.700 19802.0 7
  159.000 168317.0 57
  161.000 99010.0 33
  162.000 59406.0 20
  164.900 64356.5 22
  184.100 123762.5 42
  186.700 89109.0 30
  201.200 163366.5 55
  202.300 475248.0 160
  219.300 2975250.5 999
//

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