MassBank Record: MSBNK-Waters-WA000655
ACCESSION: MSBNK-Waters-WA000655
RECORD_TITLE: Primidone; LC-ESI-Q; MS; POS; 60 V, 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Primidone
CH$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: INCHIKEY
DQMZLTXERSFNPB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7023510
AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 11.800 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V, 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-0910000000-5ad550f1084020b726b3
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
100 396 396
102 71 71
105 98 98
106 682 682
107 55 55
109 59 59
110 51 51
111 8 8
115 137 137
116 8 8
117 999 999
118 8 8
119 834 834
120 16 16
122 12 12
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132 223 223
133 24 24
134 482 482
135 24 24
137 8 8
138 12 12
143 39 39
144 43 43
145 71 71
146 71 71
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161 20 20
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258 20 20
259 8 8
//