ACCESSION: MSBNK-EPA-ENTACT_AGILENT001881
RECORD_TITLE: 4-Hydroxytamoxifen; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Hydroxytamoxifen
CH$NAME: DTXSID3037094
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₆H₂₉NO₂
CH$EXACT_MASS: 387.2198291771
CH$SMILES: CC/C(=C(/C1C=CC(O)=CC=1)\C1C=CC(=CC=1)OCCN(C)C)/C1C=CC=CC=1
CH$IUPAC: InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25+
CH$LINK: CAS 68392-35-8
CH$LINK: INCHIKEY TXUZVZSFRXZGTL-OCEACIFDSA-N
CH$LINK: PUBCHEM CID:63062

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 386.2125527254
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-0029000000-e2639e0a7d59bb50dceb
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  193.065888 7.008264 70
  299.107753 29.583621 295
  313.123403 2.075049 20
  314.131228 23.453258 234
  315.139053 1.506972 15
  386.212553 100 999
//