MassBank Record: WA002399

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Mefloquine; LC-ESI-Q; MS; POS; 60 V
Mass Spectrum
Chemical Structure
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ACCESSION: WA002399
RECORD_TITLE: Mefloquine; 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$NAME: Mefloquine CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H16F6N2O CH$EXACT_MASS: 378.11668 CH$SMILES: C(C3)CNC(C3)C(O)c(c2)c(c1)c(nc(C(F)(F)F)2)c(cc1)C(F)(F)F CH$IUPAC: InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2 CH$LINK: CAS 53230-10-7 CH$LINK: INCHIKEY XEEQGYMUWCZPDN-UHFFFAOYSA-N
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 14.930 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$SPLASH: splash10-03di-0009000000-c798dcf79f54d7ffc10f PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 113 16 16 249 16 16 271 20 20 272 12 12 291 35 35 292 20 20 298 12 12 299 12 12 301 35 35 302 20 20 313 20 20 321 114 114 322 20 20 333 67 67 334 12 12 339 20 20 341 71 71 342 16 16 361 999 999 362 188 188 363 20 20 379 341 341 380 67 67 //