ACCESSION: MSBNK-EPA-ENTACT_AGILENT002388
RECORD_TITLE: Raloxifene; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Raloxifene
CH$NAME: Evista
CH$NAME: Keoxifene
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₈H₂₇NO₄S
CH$EXACT_MASS: 473.1660790879
CH$SMILES: OC1C=CC(=CC=1)C1SC2=CC(O)=CC=C2C=1C(=O)C1C=CC(=CC=1)OCCN1CCCCC1
CH$IUPAC: InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
CH$LINK: CAS 84449-90-1
CH$LINK: CHEMSPIDER 4859
CH$LINK: INCHIKEY GZUITABIAKMVPG-UHFFFAOYSA-N

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 10

MS$FOCUSED_ION: PRECURSOR_M/Z 472.1588026362
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00di-0000900000-ed32dfe764378aab68a0
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
472.158803 100.000004 999
//