ACCESSION: MSBNK-EPA-ENTACT_AGILENT000531
RECORD_TITLE: 4,4'-Methylenebis(2,6-diethylaniline); ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4,4'-Methylenebis(2,6-diethylaniline)
CH$NAME: DTXSID4048191
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₃₀N₂
CH$EXACT_MASS: 310.2408989718
CH$SMILES: CCC1C=C(CC2=CC(CC)=C(N)C(CC)=C2)C=C(CC)C=1N
CH$IUPAC: InChI=1S/C21H30N2/c1-5-16-10-14(11-17(6-2)20(16)22)9-15-12-18(7-3)21(23)19(8-4)13-15/h10-13H,5-9,22-23H2,1-4H3
CH$LINK: CAS 13680-35-8
CH$LINK: INCHIKEY NWIVYGKSHSJHEF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:83656

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$FOCUSED_ION: PRECURSOR_M/Z 311.2481754235
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03di-0209000000-93b7b57af0d0ddf5494e
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  117.069877 1.989107 19
  145.101177 4.461313 44
  162.127726 22.808469 227
  265.182501 1.463509 14
  294.221626 1.935547 19
  309.232525 1.151916 11
  311.248175 99.999998 999
//