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MassBank Record: JP006680

N-ACETYL-2-ACETOXYETHYLAMINOBENZENE; EI-B; MS

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

ACCESSION: JP006680
RECORD_TITLE: N-ACETYL-2-ACETOXYETHYLAMINOBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: N-ACETYL-2-ACETOXYETHYLAMINOBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H15NO3
CH$EXACT_MASS: 221.10519
CH$SMILES: CC(=O)OCCN(C(C)=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H15NO3/c1-10(14)13(8-9-16-11(2)15)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3
CH$LINK: INCHIKEY IGXHOQNEKVKXSV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90159319

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05mo-5900000000-1933d72fd822161a7a34
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  43 99.99 999
  44 2 20
  51 12.5 125
  65 0.5 5
  77 36 360
  78 6 60
  79 6.5 65
  87 0.5 5
  91 10.5 105
  92 3 30
  93 13.5 135
  104 1.25 13
  105 7.5 75
  106 99 990
  107 9.5 95
  118 1.65 17
  119 77 770
  120 12.5 125
  135 9 90
  136 0.2 2
  148 6 60
  161 55 550
  162 9 90
  179 1.35 14
  221 10.5 105
  222 2.5 25
//

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