MassBank Record: MSBNK-EPA-ENTACT_AGILENT001799
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001799
RECORD_TITLE: N-Ethyl-N-(3-methylphenyl)ethane-1,2-diamine; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: N-Ethyl-N-(3-methylphenyl)ethane-1,2-diamine
CH$NAME: DTXSID5027803
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H18N2
CH$EXACT_MASS: 178.146998589
CH$SMILES: CC1C=C(C=CC=1)N(CCN)CC
CH$IUPAC: InChI=1S/C11H18N2/c1-3-13(8-7-12)11-6-4-5-10(2)9-11/h4-6,9H,3,7-8,12H2,1-2H3
CH$LINK: CAS
19248-13-6
CH$LINK: INCHIKEY
FTMVEUXYYDLYFH-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:87984
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$FOCUSED_ION: PRECURSOR_M/Z 179.1542750407
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-03e9-0900000000-c4a70430d492e66f12e9
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
44.049476 19.554754 195
91.054227 3.162528 31
93.069877 1.940566 19
107.072951 5.325372 53
108.080776 8.653828 86
118.065126 3.242617 32
119.072951 3.26904 32
131.072951 1.080111 10
132.080776 51.492768 514
133.088601 4.358624 43
134.096426 43.989514 439
136.112076 17.409262 173
146.096426 1.792701 17
147.104251 54.273426 542
160.112076 13.947171 139
162.127726 100.000004 999
//