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MassBank Record: JP000094

N-ACETYL-GLUTAMIC ACID DIETHYLESTER; EI-B; MS

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

ACCESSION: JP000094
RECORD_TITLE: N-ACETYL-GLUTAMIC ACID DIETHYLESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: N-ACETYL-GLUTAMIC ACID DIETHYLESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H19NO5
CH$EXACT_MASS: 245.12632
CH$SMILES: CCOC(=O)CCC([H])(NC(C)=O)C(=O)OCC
CH$IUPAC: InChI=1S/C11H19NO5/c1-4-16-10(14)7-6-9(12-8(3)13)11(15)17-5-2/h9H,4-7H2,1-3H3,(H,12,13)/t9-/m1/s1
CH$LINK: INCHIKEY FBAOQDIATMHNAD-SECBINFHSA-N

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-001i-9400000000-fb913c97f7a617b7e812
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  15 4.7 47
  26 1.1 11
  27 8.9 89
  28 1.17 12
  29 16.1 161
  30 2.4 24
  31 2.9 29
  39 0.13 1
  41 9.1 91
  42 2.7 27
  43 45.5 455
  44 0.16 2
  45 2.3 23
  54 1.7 17
  55 2.6 26
  56 2.18 22
  57 7.3 73
  74 2.9 29
  82 1 10
  84 99.99 999
  85 4.8 48
  98 1.8 18
  99 1.9 19
  100 0.21 2
  102 7 70
  111 1.4 14
  112 16.4 164
  113 0.1 1
  126 17 170
  127 1.2 12
  128 1.5 15
  130 1.85 19
  131 2.8 28
  153 1.4 14
  154 1.2 12
  158 1.93 19
  159 1.2 12
  172 43.3 433
  173 3.3 33
  199 0.47 5
  200 6.1 61
  202 2.1 21
  245 1 10
//

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