ACCESSION: MSBNK-EPA-ENTACT_AGILENT001882
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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 388.2271056288
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00dr-9006000000-1e2e20280a733fa56c3b
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  44.049476 1.55767 15
  45.057301 1.842125 18
  58.065126 2.123398 21
  70.065126 1.269106 12
  72.080776 99.999997 999
  72.114481 3.506979 35
  129.069877 1.787394 17
  145.064791 1.367329 13
  166.122641 1.846903 18
  223.111742 3.336021 33
  299.143042 1.275229 12
  316.145781 1.327246 13
  343.169256 1.127497 11
  388.227106 73.210257 731
//