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MassBank Record: JP000173

TRIACETYL-ETHANOLAMINE; FI-B; MS

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

ACCESSION: JP000173
RECORD_TITLE: TRIACETYL-ETHANOLAMINE; FI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUKUSHIMA K, INST. FOR CHEMOBIODYNAMICS, CHIBA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: TRIACETYL-ETHANOLAMINE
CH$NAME: 2-(DIACETYLAMINO)ETHYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H13NO4
CH$EXACT_MASS: 187.08446
CH$SMILES: CC(=O)OCCN(C(C)=O)C(C)=O
CH$IUPAC: InChI=1S/C8H13NO4/c1-6(10)9(7(2)11)4-5-13-8(3)12/h4-5H2,1-3H3
CH$LINK: INCHIKEY SXAOEDBWUOCFAT-UHFFFAOYSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: FI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-002r-2900000000-059d59f552075c71b9a3
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  43 24.01 240
  71 3.21 32
  72 2.89 29
  84 5.68 57
  85 33.12 331
  86 3.87 39
  101 1.98 20
  102 2.02 20
  114 13.74 137
  115 3.02 30
  126 4.1 41
  127 65.44 654
  128 12.21 122
  145 6.38 64
  146 3.12 31
  147 1.88 19
  187 99.99 999
  188 20.45 205
  189 2.94 29
//

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