ACCESSION: MSBNK-EPA-ENTACT_AGILENT001160
RECORD_TITLE: 2,4,6-Tris(dimethylaminomethyl)phenol; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,4,6-Tris(dimethylaminomethyl)phenol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₇N₃O
CH$EXACT_MASS: 265.2154125058
CH$SMILES: CN(C)CC1=CC(CN(C)C)=C(O)C(CN(C)C)=C1
CH$IUPAC: InChI=1S/C15H27N3O/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6/h7-8,19H,9-11H2,1-6H3
CH$LINK: CAS 90-72-2
CH$LINK: INCHIKEY AHDSRXYHVZECER-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7026

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$FOCUSED_ION: PRECURSOR_M/Z 266.2226889575
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a6r-6900000000-94d4bcf7f3a3c46601c6
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  44.049476 1.295917 12
  55.017841 1.148278 11
  77.038577 16.591953 165
  79.054227 50.914129 508
  79.086589 1.893157 18
  91.054227 29.649001 296
  103.054227 20.119476 200
  105.069877 99.999996 999
  133.064791 23.678319 236
  176.10699 1.774402 17
//