MassBank Record: MSBNK-Kazusa-KZ000212
ACCESSION: MSBNK-Kazusa-KZ000212
RECORD_TITLE: Gly-Gly; GC-EI-TOF; MS; 4 TMS; BP:174
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01512_P000160
CH$NAME: Glycylglycine
CH$NAME: Gly-Gly
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C4H8N2O3
CH$EXACT_MASS: 132.05349
CH$SMILES: NCC(=O)NCC(O)=O
CH$IUPAC: InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
CH$LINK: CAS
556-50-3
CH$LINK: KEGG
C02037
CH$LINK: INCHIKEY
YMAWOPBAYDPSLA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90862194
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 1857.7
AC$CHROMATOGRAPHY: RETENTION_TIME 865.413 sec
MS$FOCUSED_ION: BASE_PEAK 174
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-1900000000-4cc7d622d8302ea78998
PK$NUM_PEAK: 130
PK$PEAK: m/z int. rel.int.
82 1 1
83 1 1
84 36 36
85 10 10
86 250 250
87 26 26
88 15 15
89 4 4
90 1 1
92 1 1
93 4 4
95 2 2
97 1 1
98 19 19
99 7 7
100 146 146
101 38 38
102 40 40
103 14 14
104 3 3
105 3 3
111 1 1
112 1 1
113 7 7
114 7 7
115 11 11
116 29 29
117 33 33
118 5 5
119 7 7
120 1 1
126 1 1
127 2 2
128 3 3
129 12 12
130 39 39
131 36 36
132 12 12
133 42 42
134 5 5
135 3 3
140 1 1
141 6 6
142 16 16
143 6 6
144 11 11
145 3 3
146 17 17
147 155 155
148 23 23
149 12 12
150 1 1
151 1 1
153 1 1
156 1 1
157 1 1
158 10 10
159 4 4
160 13 13
161 3 3
162 1 1
169 1 1
170 1 1
171 2 2
172 38 38
173 8 8
174 999 999
175 138 138
176 49 49
177 5 5
178 1 1
185 1 1
186 1 1
187 8 8
188 7 7
189 3 3
190 2 2
191 1 1
199 1 1
200 2 2
201 2 2
202 2 2
203 1 1
204 8 8
205 2 2
213 3 3
214 4 4
215 9 9
216 6 6
217 1 1
218 8 8
219 1 1
221 3 3
229 4 4
230 2 2
232 1 1
234 3 3
241 7 7
242 1 1
243 6 6
244 2 2
245 1 1
246 2 2
247 1 1
248 43 43
249 9 9
250 3 3
258 3 3
259 4 4
260 1 1
261 1 1
273 1 1
287 1 1
288 1 1
289 1 1
306 4 4
315 1 1
316 1 1
317 3 3
318 1 1
332 1 1
333 3 3
334 1 1
404 10 10
405 34 34
406 9 9
407 3 3
419 1 1
420 3 3
421 1 1
//
system version 2.2.6-SNAPSHOT