ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005523
RECORD_TITLE: N-ACETYLGLUTAMIC ACID DIETHYL ESTER; 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$NAME: N-ACETYLGLUTAMIC ACID DIETHYL ESTER
CH$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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001i-6900000000-86003a101f39e2e34998
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  29 1.1 11
  31 2.6 26
  41 2 20
  43 0.75 8
  45 1.6 16
  56 6.6 66
  57 1 10
  84 99.99 999
  85 7.9 79
  98 1.5 15
  99 1.2 12
  100 0.1 1
  102 5 50
  111 1.4 14
  112 20.7 207
  113 0.12 1
  116 1.1 11
  126 31.6 316
  127 1.9 19
  128 0.14 1
  130 62 620
  131 3.2 32
  145 1 10
  153 0.2 2
  154 1.7 17
  158 21.7 217
  159 1.4 14
  172 7.26 73
  173 5 50
  199 6.5 65
  200 7.6 76
  202 0.35 4
  245 1.3 13
//