ACCESSION: MSBNK-EPA-ENTACT_AGILENT002404
RECORD_TITLE: 2,6-Diisopropylaniline; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-004i-0900000000-9428b68c630d70cfd04d
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  91.054227 1.48256 14
  94.065126 1.128789 11
  133.101177 1.891247 18
  136.112076 6.656684 66
  162.127726 2.126547 21
  176.143376 1.174945 11
  178.159026 100.000003 999
//