MassBank Record: MSBNK-EPA-ENTACT_AGILENT002053
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
//