ACCESSION: MSBNK-EPA-ENTACT_AGILENT000953
RECORD_TITLE: SB413217A; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: SB413217A
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₀H₃₅FN₄O₂
CH$EXACT_MASS: 502.2744045907
CH$SMILES: CC1=NC(=NO1)C1C=C2CCN(CCC2=CC=1)CCC1CCC(CC1)NC(=O)/C=C/C1=CC=C(F)C=C1
CH$IUPAC: InChI=1S/C30H35FN4O2/c1-21-32-30(34-37-21)26-8-7-24-15-18-35(19-16-25(24)20-26)17-14-23-4-11-28(12-5-23)33-29(36)13-6-22-2-9-27(31)10-3-22/h2-3,6-10,13,20,23,28H,4-5,11-12,14-19H2,1H3,(H,33,36)/b13-6+
CH$LINK: INCHIKEY IRGFNBRYIWLUOO-AWNIVKPZSA-N
CH$LINK: PUBCHEM CID:18173271

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$FOCUSED_ION: PRECURSOR_M/Z 503.2816810424
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0udi-0000090000-0cc91594b629ef27d69d
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  149.039719 8.631718 86
  242.128789 1.19348 11
  338.222689 4.477972 44
  355.249238 2.408039 24
  461.271116 2.39457 23
  503.281681 100.000004 999
//