ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011632
RECORD_TITLE: GAMMA-BENZYL L-GLUTAMATE; 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$NAME: GAMMA-BENZYL L-GLUTAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₅NO₄
CH$EXACT_MASS: 237.10011
CH$SMILES: O=C(OCc(c1)cccc1)CCC([H])(N)C(O)=O
CH$IUPAC: InChI=1S/C12H15NO4/c13-10(12(15)16)6-7-11(14)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,15,16)/t10-/m1/s1
CH$LINK: CAS 1676-73-9
CH$LINK: INCHIKEY BGGHCRNCRWQABU-SNVBAGLBSA-N

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-0006-9400000000-3ec5a8e9ea9e55e7d5d2
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  17 1.22 12
  18 6.41 64
  20 2.56 26
  27 2.09 21
  28 7.18 72
  29 1.46 15
  30 1.64 16
  39 4.47 45
  41 6.38 64
  42 1.04 10
  43 1.93 19
  44 4.34 43
  50 1.97 20
  51 5.42 54
  52 1.39 14
  53 1.14 11
  54 1.11 11
  55 1.66 17
  56 5.64 56
  57 2.23 22
  58 1.35 14
  63 2.1 21
  65 7.49 75
  73 1.01 10
  74 4.47 45
  75 2.67 27
  77 10.42 104
  78 2.25 23
  79 16.07 161
  80 1.55 16
  84 25.17 252
  85 2.14 21
  89 2.95 30
  90 3.33 33
  91 99.99 999
  92 9.07 91
  93 1.04 10
  100 3.86 39
  102 1.65 17
  103 2.62 26
  104 1.16 12
  105 1.81 18
  107 14.19 142
  108 20.77 208
  109 1.55 16
  120 1.66 17
  121 11.92 119
  122 1.01 10
  128 8.08 81
  129 2.57 26
  146 22.09 221
  147 1.49 15
  174 3.23 32
  192 36.36 364
  193 4.55 46
  214 6.95 70
//