MassBank MassBank Search Contents Download

MassBank Record: MSBNK-EPA-ENTACT_AGILENT000954

SB413217A; ESI-QTOF; MS2; CE: 10; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-EPA-ENTACT_AGILENT000954
RECORD_TITLE: SB413217A; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-0udi-0000090000-f08a7834b8372ac961fd
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  149.039719 1.501375 14
  503.281681 99.999995 999
//

system version 2.2.6-SNAPSHOT
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo