ACCESSION: MSBNK-EPA-ENTACT_AGILENT000265
RECORD_TITLE: AVE5638; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: AVE5638
CH$NAME: DTXSID0047371
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₅H₂₃FN₂O₂
CH$EXACT_MASS: 402.1743561931
CH$SMILES: NCC1C=C(C=CC=1)C1CCN(CC1)C(=O)C1=CC=C(C#CC2=CC=CC=C2F)O1
CH$IUPAC: InChI=1S/C25H23FN2O2/c26-23-7-2-1-5-20(23)8-9-22-10-11-24(30-22)25(29)28-14-12-19(13-15-28)21-6-3-4-18(16-21)17-27/h1-7,10-11,16,19H,12-15,17,27H2
CH$LINK: CAS 725228-45-5
CH$LINK: INCHIKEY FTLQSQQQFMZPKO-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9801235

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 10

MS$FOCUSED_ION: PRECURSOR_M/Z 403.1816326448
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0udi-0001900000-6a67c39e8fabe21d6149
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  56.049476 1.494591 14
  303.081584 10.689766 106
  358.160169 1.502811 15
  386.155084 9.324486 93
  403.181633 100.000002 999
//