ACCESSION: MSBNK-EPA-ENTACT_AGILENT002150
RECORD_TITLE: 2,2'-[(3-Aminopropyl)imino]diethanol; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,2'-[(3-Aminopropyl)imino]diethanol
CH$NAME: DTXSID2044680
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₈N₂O₂
CH$EXACT_MASS: 162.1368278336
CH$SMILES: NCCCN(CCO)CCO
CH$IUPAC: InChI=1S/C7H18N2O2/c8-2-1-3-9(4-6-10)5-7-11/h10-11H,1-8H2
CH$LINK: CAS 4985-85-7
CH$LINK: INCHIKEY FKJVYOFPTRGCSP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:21088

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$FOCUSED_ION: PRECURSOR_M/Z 163.1441042853
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4j-9000000000-3b6534c2b7941d5e4022
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  30.033826 6.138645 61
  39.022927 1.68423 16
  41.026001 1.856374 18
  41.038577 18.56721 185
  42.033826 9.490069 94
  43.017841 1.374807 13
  43.041651 5.69495 56
  43.054227 1.523066 15
  44.049476 12.391464 123
  45.033491 99.999997 999
  45.057301 2.903327 29
  45.069877 1.860132 18
  56.049476 90.690785 906
  56.083181 2.517736 25
  56.094414 1.436196 14
  58.065126 60.342616 602
  58.098831 1.288413 12
  70.065126 11.4208 114
  72.080776 2.015437 20
  74.06004 22.914376 228
  88.07569 3.248156 32
  118.086255 8.072432 80
//