ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007625
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 15 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0089-3900000000-72122247793c60fc0cdc
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  31 3 30
  43 2.7 27
  45 2.2 22
  56 0.19 2
  84 69.9 699
  85 3.2 32
  98 1 10
  102 0.32 3
  111 1.3 13
  112 26.7 267
  113 1.4 14
  126 4.06 41
  127 2.9 29
  128 1.1 11
  130 52.5 525
  131 0.31 3
  145 1.6 16
  153 3.2 32
  154 2.1 21
  157 0.14 1
  158 23 230
  159 1.3 13
  172 99.99 999
  173 0.84 8
  199 11.5 115
  200 10.6 106
  202 5.8 58
  245 2.4 24
//