ACCESSION: MSBNK-EPA-ENTACT_AGILENT001161
RECORD_TITLE: 2,4,6-Tris(dimethylaminomethyl)phenol; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-00b9-0950000000-b8f8e7a4c94b554a88b0
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  44.049476 2.532254 25
  77.038577 1.194113 11
  79.054227 2.291752 22
  91.054227 3.428606 34
  105.069877 14.251944 142
  133.064791 44.627973 445
  176.10699 72.73352 726
  176.155952 2.364756 23
  176.175739 1.524724 15
  178.122641 40.791166 407
  178.171602 1.140549 11
  221.16484 100.000004 999
//