ACCESSION: MSBNK-EPA-ENTACT_AGILENT001065
RECORD_TITLE: Letrozole; ESI-QTOF; MS2; CE: 10; [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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 284.0941689362
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-0090000000-0def7be82c724103487f
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  102.034923 1.431632 14
  127.030172 1.925499 19
  242.072371 7.149065 71
  284.094169 100.000003 999
//