MassBank Record: MSBNK-Waters-WA000468
ACCESSION: MSBNK-Waters-WA000468
RECORD_TITLE: Terfenadine; 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$NAME: Terfenadine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C32H41NO2
CH$EXACT_MASS: 471.31373
CH$SMILES: C(c(c4)cccc4)(c(c3)cccc3)(C(C2)CCN(C2)CCCC(O)c(c1)ccc(C(C)(C)C)c1)O
CH$IUPAC: InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3
CH$LINK: CAS
50679-08-8
CH$LINK: INCHIKEY
GUGOEEXESWIERI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2023642
AC$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$CHROMATOGRAPHY: RETENTION_TIME 16.620 min
AC$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: splash10-0fe0-0000900000-858725d029c593ab391c
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
111 12 12
129 71 71
131 24 24
147 16 16
187 27 27
203 78 78
216 12 12
250 12 12
260 24 24
262 43 43
268 24 24
280 12 12
286 24 24
436 999 999
437 360 360
438 59 59
454 995 995
455 341 341
456 59 59
472 564 564
473 196 196
474 35 35
//