MassBank Record: MSBNK-EPA-ENTACT_AGILENT000540
ACCESSION: MSBNK-EPA-ENTACT_AGILENT000540
RECORD_TITLE: N,N-Dimethyl-4-nitrosoaniline; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: N,N-Dimethyl-4-nitrosoaniline
CH$NAME: DTXSID7025138
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10N2O
CH$EXACT_MASS: 150.0793129561
CH$SMILES: CN(C)C1C=CC(=CC=1)N=O
CH$IUPAC: InChI=1S/C8H10N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6H,1-2H3
CH$LINK: CAS
138-89-6
CH$LINK: INCHIKEY
CMEWLCATCRTSGF-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:8749
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$FOCUSED_ION: PRECURSOR_M/Z 151.0865894078
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-014l-9300000000-12e5631d118ab784ef18
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
39.022927 8.84339 88
41.038577 3.401878 33
42.033826 19.102469 190
51.022927 25.703761 256
52.018175 7.001244 69
52.030752 1.631242 16
53.038577 3.361971 33
55.041651 1.170985 11
56.049476 1.573228 15
63.022927 2.76817 27
63.994366 2.389461 23
64.018175 1.717609 17
64.030752 2.925304 29
65.038577 100.000003 999
65.070939 1.84661 18
65.083515 1.083842 10
66.033826 24.261015 242
67.041651 11.354452 113
68.049476 34.87765 348
77.038577 22.070263 220
78.033826 33.051287 330
79.041651 2.281565 22
79.054227 17.957793 179
80.049476 6.106086 60
81.057301 4.246292 42
82.065126 5.491121 54
89.038577 1.096325 10
90.033826 6.291287 62
91.041651 8.774077 87
91.054227 3.785682 37
92.049476 73.70994 736
93.044725 35.662912 356
93.057301 17.306325 172
94.065126 2.361737 23
104.049476 4.472922 44
105.044725 2.373584 23
105.057301 4.079936 40
106.065126 23.040016 230
107.060375 1.784856 17
107.072951 1.607229 16
108.080776 1.967253 19
116.049476 5.002688 49
117.044725 1.461306 14
117.057301 3.07852 30
118.05255 33.02084 329
119.060375 25.23305 252
120.080776 7.037883 70
131.060375 2.567752 25
132.0682 7.091206 70
133.076025 46.821833 467
134.08385 1.903955 19
//
system version 2.2.8-SNAPSHOT