ACCESSION: MSBNK-EPA-ENTACT_AGILENT002292
RECORD_TITLE: 4-Dodecylmorpholine; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Dodecylmorpholine
CH$NAME: DTXSID4042171
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₃NO
CH$EXACT_MASS: 255.2562146824
CH$SMILES: CCCCCCCCCCCCN1CCOCC1
CH$IUPAC: InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18-16-14-17/h2-16H2,1H3
CH$LINK: CAS 1541-81-7
CH$LINK: INCHIKEY ZRIILUSQBDFVNY-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:73764

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$FOCUSED_ION: PRECURSOR_M/Z 256.2634911341
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9000000000-94b147c21e8d29184933
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  29.038577 1.080606 10
  41.038577 34.616312 345
  42.033826 12.70577 126
  43.054227 99.999998 999
  44.049476 19.488613 194
  45.033491 5.557463 55
  55.054227 3.753047 37
  57.069877 52.278551 522
  58.065126 3.202659 31
  68.049476 1.471901 14
  70.065126 42.606837 425
  71.085527 4.991601 49
  86.06004 1.623266 16
  88.07569 28.370479 283
  102.09134 2.407853 24
//