MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000096
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000096
RECORD_TITLE: N-ACETYL-GLUTAMIC ACID DIMETHYLESTER; 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$NAME: N-ACETYL-GLUTAMIC ACID DIMETHYLESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H15NO5
CH$EXACT_MASS: 217.09502
CH$SMILES: COC(=O)CCC([H])(NC(C)=O)C(=O)OC
CH$IUPAC: InChI=1S/C9H15NO5/c1-6(11)10-7(9(13)15-3)4-5-8(12)14-2/h7H,4-5H2,1-3H3,(H,10,11)/t7-/m1/s1
CH$LINK: INCHIKEY
KAUXXCKARJMDIG-SSDOTTSWSA-N
AC$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: splash10-00l6-9400000000-2983b1ebe15e248f1a2e
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
15 16 160
27 4.4 44
28 14.9 149
29 0.3 3
30 3 30
31 2.5 25
33 3.4 34
39 0.22 2
41 11.2 112
42 4.9 49
43 73.7 737
44 0.18 2
45 1.2 12
54 3.5 35
55 4.6 46
56 3.75 38
57 7.6 76
59 5.2 52
60 2.7 27
74 0.12 1
82 3.9 39
83 1 10
84 99.99 999
85 0.49 5
88 17.5 175
89 1 10
98 19.5 195
100 0.21 2
102 2 20
111 2.1 21
112 1.3 13
114 0.36 4
116 83.6 836
117 3.9 39
126 8.5 85
127 0.11 1
130 2.3 23
131 1.1 11
142 1.9 19
143 0.11 1
144 30.8 308
145 1.5 15
153 1.8 18
158 6.5 65
159 4.2 42
172 1.9 19
174 5 50
185 0.44 4
186 3.6 36
217 1.5 15
//
system version 2.2.8-SNAPSHOT