MassBank Record: WA002408



 Zolmitriptan; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002408
RECORD_TITLE: Zolmitriptan; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Zolmitriptan CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H21N3O2 CH$EXACT_MASS: 287.16338 CH$SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)C[C@H]3COC(=O)N3 CH$IUPAC: InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1 CH$LINK: CAS 139264-25-8 CH$LINK: INCHIKEY ULSDMUVEXKOYBU-ZDUSSCGKSA-N CH$LINK: COMPTOX DTXSID8045933
AC$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$CHROMATOGRAPHY: RETENTION_TIME 10.730 min AC$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
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00lr-0900000000-193974ae19adf031b87c PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 117 16 16 129 39 39 130 12 12 141 12 12 143 16 16 144 20 20 146 74 74 147 47 47 153 16 16 154 149 149 155 125 125 156 247 247 157 82 82 158 27 27 161 35 35 165 215 215 166 27 27 167 396 396 168 59 59 170 35 35 180 43 43 181 43 43 182 999 999 183 133 133 184 16 16 197 16 16 198 24 24 199 20 20 225 12 12 232 12 12 243 114 114 244 20 20 288 43 43 //

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