ACCESSION: MSBNK-EPA-ENTACT_AGILENT001880
RECORD_TITLE: 4-Hydroxytamoxifen; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0006-0920000000-4c8a138592558338f5f7
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  93.034588 8.175162 81
  193.065888 99.999999 999
  194.073714 1.469933 14
  197.060803 1.775621 17
  284.084278 1.903034 19
  298.099928 1.291627 12
  299.107753 21.830753 218
  313.123403 2.72385 27
//