ACCESSION: MSBNK-EPA-ENTACT_AGILENT000128
RECORD_TITLE: CP-728663; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: CP-728663
CH$NAME: DTXSID1047283
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₆H₃₃N₃O₂
CH$EXACT_MASS: 419.2572773195
CH$SMILES: CCC1CCC(NCC2=CC3=C(C=C2OC)C2CC2C(=O)N3C)C(N1)C1C=CC=CC=1
CH$IUPAC: InChI=1S/C26H33N3O2/c1-4-18-10-11-22(25(28-18)16-8-6-5-7-9-16)27-15-17-12-23-20(14-24(17)31-3)19-13-21(19)26(30)29(23)2/h5-9,12,14,18-19,21-22,25,27-28H,4,10-11,13,15H2,1-3H3
CH$LINK: CAS 368832-42-2
CH$LINK: INCHIKEY KDGDTPNBDMVKHC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9888347

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$FOCUSED_ION: PRECURSOR_M/Z 420.2645537712
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014i-0290000000-9e58a5b18db7d58d0d27
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  186.09134 1.471886 14
  188.10699 1.402632 14
  188.143376 22.663127 226
  216.101905 100.000003 999
  216.150867 5.726768 57
  216.183229 3.176444 31
  216.195806 1.200481 11
  420.264554 8.424755 84
//