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MassBank Record: WA000468

Terfenadine; LC-ESI-Q; MS; POS; 60 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: 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
//

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