ACCESSION: MSBNK-EPA-ENTACT_AGILENT002206
RECORD_TITLE: 3-[Bis(2-hydroxyethyl)amino]propanenitrile; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 3-[Bis(2-hydroxyethyl)amino]propanenitrile
CH$NAME: DTXSID5044603
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄N₂O₂
CH$EXACT_MASS: 158.105527706
CH$SMILES: N#CCCN(CCO)CCO
CH$IUPAC: InChI=1S/C7H14N2O2/c8-2-1-3-9(4-6-10)5-7-11/h10-11H,1,3-7H2
CH$LINK: CAS 17209-72-2
CH$LINK: INCHIKEY ZSIRWYMANRZZPE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:96132

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$FOCUSED_ION: PRECURSOR_M/Z 159.1128041577
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-003r-9000000000-3627fccb9fe7a890e543
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  61.007276 6.126448 61
  62.015101 1.476222 14
  63.01035 6.772308 67
  63.994366 17.640428 176
  65.99744 14.998964 149
  79.017841 99.042894 989
  79.054227 1.87403 18
  80.025666 1.507639 15
  81.020915 99.999998 999
  81.065854 1.375653 13
  118.086255 2.937218 29
//