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MassBank Record: MSBNK-EPA-ENTACT_AGILENT001397

N,N,N?,N?-Tetrakis(2-hydroxypropyl)ethylenediamine; ESI-QTOF; MS2; CE: 40; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-EPA-ENTACT_AGILENT001397
RECORD_TITLE: N,N,N?,N?-Tetrakis(2-hydroxypropyl)ethylenediamine; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N,N,N?,N?-Tetrakis(2-hydroxypropyl)ethylenediamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H32N2O4
CH$EXACT_MASS: 292.2362075248
CH$SMILES: CC(O)CN(CC(C)O)CCN(CC(C)O)CC(C)O
CH$IUPAC: InChI=1S/C14H32N2O4/c1-11(17)7-15(8-12(2)18)5-6-16(9-13(3)19)10-14(4)20/h11-14,17-20H,5-10H2,1-4H3
CH$LINK: CAS 102-60-3
CH$LINK: INCHIKEY NSOXQYCFHDMMGV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7615

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$FOCUSED_ION: PRECURSOR_M/Z 293.2434839765
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-053u-9200000000-0e5f6c40c81514117998
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  31.017841 2.805647 28
  39.022927 1.122503 11
  41.038577 39.089228 390
  41.059706 1.060189 10
  42.033826 18.115563 180
  43.054227 4.671759 46
  44.049476 7.296683 72
  45.033491 8.838525 88
  55.054227 10.734426 107
  56.049476 26.569575 265
  57.069877 4.219312 42
  58.065126 8.878139 88
  59.049141 55.597638 555
  59.09408 1.090051 10
  60.04439 1.150031 11
  67.054227 7.024871 70
  68.049476 1.348558 13
  69.069877 1.835815 18
  70.065126 6.844663 68
  72.04439 1.806343 18
  72.080776 4.348537 43
  79.054227 1.773397 17
  81.069877 3.551976 35
  82.065126 7.077641 70
  84.080776 99.999999 999
  84.114481 3.63219 36
  84.125715 2.571805 25
  85.088601 1.401056 13
  86.096426 1.96538 19
  96.080776 2.953452 29
  97.088601 1.368624 13
  98.096426 14.016271 140
  100.07569 8.341179 83
  102.09134 31.417222 313
  112.112076 5.053311 50
  114.09134 1.389763 13
  114.127726 1.143629 11
  116.10699 2.03303 20
  124.112076 2.378626 23
  127.099165 1.591224 15
  142.122641 30.428216 303
  160.133205 32.377455 323
//

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