MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011632
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
//