ACCESSION: MSBNK-EPA-ENTACT_AGILENT002205
RECORD_TITLE: 3-[Bis(2-hydroxyethyl)amino]propanenitrile; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-0059-9000000000-b870737b59ee50ffa52b
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  63.994366 2.465192 24
  65.99744 4.192734 41
  79.017841 100.000005 999
  79.054227 1.999605 19
  80.025666 1.475481 14
  81.020915 99.990453 998
  81.065854 1.317941 13
  118.086255 1.290459 12
//