MassBank Record: MSBNK-Keio_Univ-KO003792
ACCESSION: MSBNK-Keio_Univ-KO003792
RECORD_TITLE: Primidone; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 219
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-052f-9000000000-bdd6d5c0f8bd8a00b144
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
58.300 133663.5 963
77.700 19802.0 143
79.000 29703.0 214
91.100 138614.0 999
//