ACCESSION: MSBNK-EPA-ENTACT_AGILENT001064
RECORD_TITLE: Letrozole; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Letrozole
CH$NAME: Letocor
CH$NAME: Letoripe
CH$NAME: Lerozole
CH$NAME: Femara
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₁N₅
CH$EXACT_MASS: 285.1014453879
CH$SMILES: N#CC1C=CC(=CC=1)C(C1C=CC(=CC=1)C#N)N1C=NC=N1
CH$IUPAC: InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H
CH$LINK: CAS 112809-51-5
CH$LINK: CHEMSPIDER 3765
CH$LINK: INCHIKEY HPJKCIUCZWXJDR-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:3902

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$FOCUSED_ION: PRECURSOR_M/Z 286.1087218396
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014i-0190000000-488b5f5af5ea18e5a755
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  190.065126 18.415653 183
  215.060375 3.645341 36
  216.0682 2.531225 25
  217.076025 99.999995 999
//