ACCESSION: MSBNK-EPA-ENTACT_AGILENT000530
RECORD_TITLE: 4,4'-Methylenebis(2,6-diethylaniline); ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-03di-0910000000-ef85703c10b0d9101c20
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  91.054227 3.806071 38
  105.069877 5.007974 50
  115.054227 4.981515 49
  116.062052 1.498761 14
  117.069877 14.944909 149
  119.072951 3.630291 36
  128.062052 1.412513 14
  129.069877 2.452255 24
  130.077702 4.641021 46
  132.080776 2.64437 26
  133.088601 1.225204 12
  134.096426 2.494192 24
  143.085527 1.263588 12
  145.101177 14.596315 145
  146.096426 12.341426 123
  147.104251 20.607473 205
  160.112076 1.055256 10
  162.127726 100.000005 999
  206.096426 1.724091 17
  207.104251 3.295976 32
  208.112076 2.01345 20
  220.112076 1.015508 10
  221.119901 5.590501 55
  222.127726 1.420107 14
  236.143376 6.304996 62
  237.151201 1.001703 10
  250.159026 4.738784 47
  264.174676 5.679721 56
  265.182501 3.058078 30
//