ACCESSION: MSBNK-EPA-ENTACT_AGILENT000764
RECORD_TITLE: N-Nitrosobis(2-oxopropyl)amine; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-0059-9000000000-776fd24a667c17cecbc9
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  63.994366 3.006804 30
  65.99744 2.466234 24
  79.017841 100.000003 999
  79.054227 3.003741 30
  80.025666 1.883842 18
  81.020915 94.45048 943
  81.054621 2.996464 29
  81.065854 1.91647 19
  86.06004 4.077061 40
  128.070605 1.210129 12
//