ACCESSION: MSBNK-EPA-ENTACT_AGILENT002055
RECORD_TITLE: 2-(N-Ethyl-m-toluidino)ethanol; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-00dl-6900000000-6a70377805d99fd9c40b
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  45.033491 3.561377 35
  65.038577 8.552627 85
  77.038577 5.725898 57
  79.054227 2.316538 23
  91.054227 57.427726 573
  92.062052 7.315891 73
  93.057301 3.480209 34
  93.069877 10.63607 106
  103.054227 1.452439 14
  105.069877 1.003028 10
  106.065126 11.523403 115
  107.072951 5.737895 57
  115.054227 1.164492 11
  117.057301 2.115634 21
  118.065126 9.476543 94
  119.072951 3.344295 33
  120.080776 100.000002 999
  132.080776 4.372555 43
  134.096426 2.252492 22
//