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MassBank Record: WA000467

Terfenadine; LC-ESI-Q; MS; POS; 75 V

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

ACCESSION: 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
//

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