ACCESSION: MSBNK-EPA-ENTACT_AGILENT001883
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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40
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: splash10-00di-9000000000-740a5a9813ded839416d
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  42.033826 3.391253 33
  44.049476 11.311786 113
  45.057301 7.406758 73
  56.049476 1.34294 13
  57.057301 2.529271 25
  58.065126 1.760749 17
  70.065126 6.643215 66
  72.080776 100.000004 999
  72.114481 3.431264 34
  91.054227 1.545914 15
  107.049141 1.755452 17
  129.069877 2.703227 27
  145.064791 1.502715 15
  207.080441 1.259178 12
//
