MassBank Record: MSBNK-Waters-WA002399
ACCESSION: MSBNK-Waters-WA002399
RECORD_TITLE: Mefloquine; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 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
//