MassBank Record: MSBNK-EPA-ENTACT_AGILENT000763
ACCESSION: MSBNK-EPA-ENTACT_AGILENT000763
RECORD_TITLE: N-Nitrosobis(2-oxopropyl)amine; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: N-Nitrosobis(2-oxopropyl)amine
CH$NAME: DTXSID2021022
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10N2O3
CH$EXACT_MASS: 158.0691422007
CH$SMILES: CC(=O)CN(CC(C)=O)N=O
CH$IUPAC: InChI=1S/C6H10N2O3/c1-5(9)3-8(7-11)4-6(2)10/h3-4H2,1-2H3
CH$LINK: CAS
60599-38-4
CH$LINK: INCHIKEY
AKRYBBWYDSDZHG-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:43371
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$FOCUSED_ION: PRECURSOR_M/Z 159.0764186524
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-0059-9000000000-4749c1f4ee2ca0f7f53c
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
47.00018 1.313042 13
48.99202 1.451755 14
58.065126 1.44191 14
61.007276 6.720619 67
62.015101 1.673682 16
63.00767 6.184413 61
63.994366 17.266926 172
64.015495 2.629294 26
65.99744 16.262876 162
79.017841 99.999998 999
79.054227 2.800417 27
80.025666 2.108663 21
81.020915 94.657481 945
81.054621 2.864841 28
81.065854 1.743496 17
86.06004 4.621784 46
//