MassBank Record: MSBNK-EPA-ENTACT_AGILENT002055
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
//