ACCESSION: MSBNK-EPA-ENTACT_AGILENT002405
RECORD_TITLE: 2,6-Diisopropylaniline; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,6-Diisopropylaniline
CH$NAME: DTXSID5022279
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₉N
CH$EXACT_MASS: 177.1517496135
CH$SMILES: CC(C)C1=CC=CC(C(C)C)=C1N
CH$IUPAC: InChI=1S/C12H19N/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,13H2,1-4H3
CH$LINK: CAS 24544-04-5
CH$LINK: INCHIKEY WKBALTUBRZPIPZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:32484

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$FOCUSED_ION: PRECURSOR_M/Z 178.1590260652
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004l-2900000000-56e84d6daab4a88ae26d
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  41.038577 4.915699 49
  43.054227 28.751331 287
  91.054227 40.71138 406
  94.065126 14.675823 146
  105.069877 9.193689 91
  106.065126 1.867146 18
  117.069877 2.017273 20
  119.085527 3.747702 37
  120.080776 10.9738 109
  133.101177 53.398733 533
  134.096426 4.897178 48
  136.112076 19.973518 199
  148.112076 2.803652 28
  160.112076 1.288984 12
  162.127726 36.733742 366
  176.143376 21.007944 209
  178.159026 99.999998 999
//