MassBank Record: WA002410



 Zolmitriptan; LC-ESI-Q; MS; POS; 30 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002410
RECORD_TITLE: Zolmitriptan; LC-ESI-Q; MS; POS; 30 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 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-000i-0090000000-d16902190006e82bc479 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 182 12 12 243 141 141 244 24 24 288 999 999 289 192 192 290 20 20 304 12 12 320 55 55 321 12 12 326 12 12 //

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