MassBank Record: MSBNK-Kazusa-KZ000094
ACCESSION: MSBNK-Kazusa-KZ000094
RECORD_TITLE: DL-2,6-Diaminopimelic acid; GC-EI-TOF; MS; 4 TMS; BP:200
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_05020_P000051
CH$NAME: DL-2,6-Diaminopimelic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C7H14N2O4
CH$EXACT_MASS: 190.09536
CH$SMILES: OC(=O)[C@@H](N)CCC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1
CH$LINK: CAS
2577-62-0
CH$LINK: KEGG
C00680
CH$LINK: INCHIKEY
GMKMEZVLHJARHF-WHFBIAKZSA-N
AC$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$CHROMATOGRAPHY: RETENTION_INDEX 0.0000
AC$CHROMATOGRAPHY: RETENTION_TIME 919.162 sec
MS$FOCUSED_ION: BASE_PEAK 200
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0uk9-1980000000-1b092f9141e7549bee24
PK$NUM_PEAK: 217
PK$PEAK: m/z int. rel.int.
82 356 356
83 27 27
84 5 5
85 9 9
86 15 15
87 7 7
88 6 6
89 2 2
90 5 5
92 5 5
94 1 1
96 4 4
97 4 4
98 18 18
99 7 7
100 148 148
101 29 29
102 41 41
103 19 19
104 3 3
105 3 3
106 1 1
107 1 1
108 2 2
109 19 19
110 21 21
111 3 3
112 17 17
113 6 6
114 44 44
115 40 40
116 36 36
117 29 29
118 10 10
119 7 7
120 4 4
121 1 1
122 25 25
123 3 3
124 3 3
125 1 1
126 84 84
127 20 20
128 619 619
129 82 82
130 44 44
131 31 31
132 26 26
133 48 48
134 9 9
135 5 5
136 1 1
137 1 1
138 3 3
139 2 2
140 14 14
141 7 7
142 39 39
143 9 9
144 44 44
145 9 9
146 17 17
147 292 292
148 55 55
149 32 32
150 6 6
151 2 2
152 4 4
153 2 2
154 74 74
155 87 87
156 52 52
157 15 15
158 7 7
159 5 5
160 5 5
161 3 3
162 6 6
163 5 5
164 3 3
165 5 5
166 9 9
167 4 4
168 6 6
169 3 3
170 11 11
171 16 16
172 33 33
173 10 10
174 12 12
175 3 3
176 3 3
177 2 2
178 1 1
179 1 1
180 1 1
181 90 90
182 86 86
183 24 24
184 38 38
185 6 6
186 8 8
187 2 2
188 17 17
189 5 5
190 28 28
191 28 28
192 8 8
193 5 5
194 2 2
195 1 1
196 1 1
197 1 1
198 4 4
199 3 3
200 999 999
201 152 152
202 73 73
203 14 14
204 5 5
205 2 2
206 1 1
207 1 1
209 2 2
210 1 1
211 1 1
212 1 1
213 1 1
214 6 6
215 4 4
216 9 9
217 6 6
218 67 67
219 34 34
220 12 12
221 7 7
222 2 2
223 1 1
226 1 1
227 2 2
228 9 9
229 6 6
230 16 16
231 4 4
232 7 7
233 2 2
234 1 1
236 1 1
238 1 1
239 1 1
240 1 1
241 1 1
242 5 5
243 6 6
244 9 9
245 5 5
246 4 4
247 1 1
248 1 1
253 1 1
254 1 1
255 12 12
256 8 8
257 4 4
258 3 3
259 1 1
260 2 2
269 1 1
270 1 1
271 85 85
272 770 770
273 183 183
274 78 78
275 13 13
276 2 2
283 8 8
284 7 7
285 2 2
286 1 1
287 1 1
291 1 1
299 3 3
300 1 1
301 1 1
302 1 1
304 1 1
317 1 1
318 1 1
344 1 1
345 5 5
346 13 13
347 6 6
348 3 3
349 1 1
355 2 2
356 4 4
357 1 1
358 1 1
359 1 1
360 1 1
361 7 7
362 2 2
363 1 1
372 1 1
373 25 25
374 17 17
375 7 7
376 3 3
388 1 1
389 1 1
463 3 3
464 1 1
477 6 6
478 42 42
479 19 19
480 10 10
481 3 3
//