ACCESSION: MSBNK-EPA-ENTACT_AGILENT002151
RECORD_TITLE: 2,2'-[(3-Aminopropyl)imino]diethanol; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0aor-6900000000-ee98614a4a4b108781d6
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  30.033826 1.588594 15
  41.038577 2.781701 27
  44.049476 1.79151 17
  45.033491 8.385255 83
  56.049476 12.341725 123
  58.065126 78.196181 781
  58.098831 2.503806 25
  58.110065 1.479998 14
  70.065126 5.389276 53
  72.080776 1.369706 13
  74.06004 16.141497 161
  84.080776 1.661771 16
  86.06004 1.098002 10
  88.07569 11.131822 111
  100.07569 1.738501 17
  102.09134 7.681881 76
  106.086255 21.679833 216
  118.086255 100 999
  118.122641 3.78313 37
  118.14645 1.846678 18
  146.117555 46.006091 459
  163.144104 5.58398 55
//