MassBank Record: JP004236

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N-(PHENYLACETHYL)GLYCINE METHYL ESTER; EI-B; MS

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

ACCESSION: JP004236
RECORD_TITLE: N-(PHENYLACETHYL)GLYCINE METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: N-(PHENYLACETHYL)GLYCINE METHYL ESTER
CH$NAME: PHENACETURIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H13NO3
CH$EXACT_MASS: 207.08953999999999950887286104261875152587890625
CH$SMILES: COC(=O)CNC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C11H13NO3/c1-15-11(14)8-12-10(13)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
CH$LINK: CAS 5259-87-0
CH$LINK: COMPTOX DTXSID80200566
CH$LINK: INCHIKEY VISLHUSQBAQEBB-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0006-9200000000-af3d3d3f6392cedaf02b
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  39 9.6 96
  42 1.6 16
  44 9.6 96
  50 0.26 3
  51 5.9 59
  56 23.1 231
  63 5.9 59
  64 0.21 2
  65 21.5 215
  77 2.6 26
  88 61.2 612
  89 0.96 10
  90 8.6 86
  91 99.99 999
  92 81.7 817
  93 0.69 7
  116 24.7 247
  117 2.1 21
  118 38.1 381
  119 0.53 5
  120 1.6 16
  148 5.9 59
  176 4.3 43
  207 3.27 33
  208 3.7 37
//