MassBank Record: MSBNK-Waters-WA000467
ACCESSION: MSBNK-Waters-WA000467
RECORD_TITLE: Terfenadine; LC-ESI-Q; MS; POS; 75 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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0f79-0330900000-1a1c19abf529102003c2
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
111 74 74
117 35 35
122 20 20
124 35 35
129 239 239
131 157 157
132 24 24
143 31 31
147 137 137
148 12 12
155 12 12
161 59 59
167 24 24
187 51 51
203 243 243
204 39 39
205 16 16
216 27 27
219 24 24
230 51 51
231 20 20
242 55 55
248 12 12
250 24 24
260 31 31
262 137 137
263 24 24
268 86 86
269 20 20
270 20 20
280 24 24
286 27 27
288 12 12
436 999 999
437 341 341
438 59 59
454 447 447
455 153 153
456 24 24
472 145 145
473 47 47
//