ACCESSION: MSBNK-EPA-ENTACT_AGILENT002053
RECORD_TITLE: 2-(N-Ethyl-m-toluidino)ethanol; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-(N-Ethyl-m-toluidino)ethanol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₇NO
CH$EXACT_MASS: 179.131014172
CH$SMILES: CC1C=C(C=CC=1)N(CCO)CC
CH$IUPAC: InChI=1S/C11H17NO/c1-3-12(7-8-13)11-6-4-5-10(2)9-11/h4-6,9,13H,3,7-8H2,1-2H3
CH$LINK: CAS 91-88-3
CH$LINK: INCHIKEY KRNUKKZDGDAWBF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7067

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$FOCUSED_ION: PRECURSOR_M/Z 180.1382906237
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00di-0900000000-205c951e5adf6d3318e0
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  45.033491 2.77346 27
  91.054227 2.879058 28
  93.069877 1.385402 13
  106.065126 1.657109 16
  107.072951 4.561441 45
  108.080776 6.688074 66
  118.065126 1.955923 19
  119.072951 5.549095 55
  120.080776 100.000001 999
  121.088601 2.252046 22
  132.080776 7.714209 77
  133.088601 3.801108 37
  134.096426 32.16959 321
  135.104251 28.56359 285
  136.112076 12.54841 125
  147.104251 4.571809 45
  151.099165 8.095364 80
  152.10699 6.227972 62
  160.112076 1.182799 11
  162.127726 14.543203 145
  180.138291 13.482376 134
//