MassBank Record: MSBNK-Keio_Univ-KO003791
ACCESSION: MSBNK-Keio_Univ-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
//