ACCESSION: MSBNK-EPA-ENTACT_AGILENT000183
RECORD_TITLE: 2,2'-(Tetradecylimino)diethanol; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,2'-(Tetradecylimino)diethanol
CH$NAME: DTXSID5044865
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₉NO₂
CH$EXACT_MASS: 301.2980794961
CH$SMILES: CCCCCCCCCCCCCCN(CCO)CCO
CH$IUPAC: InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(15-17-20)16-18-21/h20-21H,2-18H2,1H3
CH$LINK: CAS 18924-66-8
CH$LINK: INCHIKEY CPHJEACXPATRSU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:12942137

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$FOCUSED_ION: PRECURSOR_M/Z 302.3053559478
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9000000000-59dc1332b695c667b5ad
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  41.038577 25.12079 250
  42.033826 16.172777 161
  43.054227 99.999999 999
  43.075356 3.549766 35
  44.049476 33.645421 336
  45.033491 11.678087 116
  55.054227 3.960501 39
  56.049476 1.026247 10
  57.069877 66.356435 662
  57.114816 1.118445 11
  58.065126 4.970726 49
  60.04439 1.089329 10
  62.06004 2.723771 27
  68.049476 1.508474 15
  69.069877 1.01169 10
  70.065126 73.014196 729
  70.098831 2.132581 21
  71.085527 10.034559 100
  85.101177 2.240023 22
  88.07569 44.865656 448
  88.112076 1.161867 11
  102.09134 9.077371 90
  106.086255 10.579712 105
  302.305356 1.101811 11
//