ACCESSION: MSBNK-EPA-ENTACT_AGILENT000704
RECORD_TITLE: FR130739; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: FR130739
CH$NAME: DTXSID1048178
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₂₃N₇
CH$EXACT_MASS: 409.2014937855
CH$SMILES: CCCCC1=NC2C=CC=NC=2N1CC1C=CC(=CC=1)C1=CC=CC=C1C1NN=NN=1
CH$IUPAC: InChI=1S/C24H23N7/c1-2-3-10-22-26-21-9-6-15-25-24(21)31(22)16-17-11-13-18(14-12-17)19-7-4-5-8-20(19)23-27-29-30-28-23/h4-9,11-15H,2-3,10,16H2,1H3,(H,27,28,29,30)
CH$LINK: CAS 136042-19-8
CH$LINK: INCHIKEY YILJWHUIUCRKEU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:23668568

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$FOCUSED_ION: PRECURSOR_M/Z 410.2087702372
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03di-0041900000-2fc309c39345ad1455e5
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  176.118224 7.308947 73
  178.077702 1.525275 15
  207.091675 46.758396 467
  207.147847 1.167207 11
  353.188649 1.76923 17
  367.191723 1.479943 14
  382.202622 10.508101 104
  410.20877 100.000004 999
//