MassBank Record: MSBNK-Kazusa-KZ000027
ACCESSION: MSBNK-Kazusa-KZ000027
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_01490_P000150
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$CHROMATOGRAPHY: RETENTION_INDEX 1987.4
AC$CHROMATOGRAPHY: RETENTION_TIME 915.463 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: splash10-0umi-1950000000-749403a0eb6d05c7903e
PK$NUM_PEAK: 222
PK$PEAK: m/z int. rel.int.
82 556 556
83 51 51
84 31 31
85 23 23
86 35 35
87 19 19
88 12 12
89 10 10
90 11 11
91 3 3
92 14 14
93 18 18
94 6 6
95 9 9
96 9 9
97 11 11
98 37 37
99 17 17
100 306 306
101 58 58
102 81 81
103 83 83
104 11 11
105 10 10
106 3 3
107 4 4
108 10 10
109 41 41
110 48 48
111 9 9
112 38 38
113 15 15
114 84 84
115 82 82
116 72 72
117 63 63
118 19 19
119 15 15
120 7 7
121 3 3
122 29 29
123 4 4
124 5 5
125 3 3
126 120 120
127 31 31
128 833 833
129 137 137
130 88 88
131 77 77
132 60 60
133 106 106
134 20 20
135 11 11
136 2 2
137 2 2
138 7 7
139 4 4
140 23 23
141 12 12
142 54 54
143 12 12
144 54 54
145 11 11
146 33 33
147 481 481
148 91 91
149 55 55
150 11 11
151 4 4
152 8 8
153 5 5
154 133 133
155 157 157
156 94 94
157 27 27
158 14 14
159 9 9
160 9 9
161 6 6
162 9 9
163 9 9
164 4 4
165 10 10
166 19 19
167 8 8
168 11 11
169 6 6
170 19 19
171 26 26
172 54 54
173 14 14
174 20 20
175 5 5
176 4 4
177 3 3
178 1 1
179 1 1
180 3 3
181 142 142
182 147 147
183 37 37
184 73 73
185 11 11
186 13 13
187 3 3
188 25 25
189 7 7
190 37 37
191 35 35
192 9 9
193 6 6
194 3 3
195 1 1
196 1 1
197 1 1
198 6 6
199 5 5
200 999 999
201 180 180
202 87 87
203 19 19
204 6 6
205 3 3
206 2 2
207 2 2
208 1 1
209 3 3
210 2 2
211 1 1
212 2 2
213 1 1
214 7 7
215 5 5
216 11 11
217 7 7
218 86 86
219 44 44
220 16 16
221 10 10
222 3 3
223 1 1
224 1 1
225 1 1
226 2 2
227 3 3
228 14 14
229 8 8
230 22 22
231 6 6
232 10 10
233 2 2
234 1 1
236 1 1
237 1 1
238 1 1
239 2 2
240 1 1
241 1 1
242 7 7
243 8 8
244 13 13
245 7 7
246 5 5
247 2 2
248 1 1
253 1 1
254 2 2
255 20 20
256 14 14
257 5 5
258 5 5
259 1 1
260 4 4
261 1 1
270 1 1
271 75 75
272 656 656
273 175 175
274 72 72
275 12 12
276 2 2
283 10 10
284 9 9
285 3 3
286 1 1
287 2 2
288 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 4 4
346 12 12
347 5 5
348 2 2
355 1 1
356 3 3
357 1 1
359 1 1
360 1 1
361 4 4
362 1 1
372 2 2
373 21 21
374 15 15
375 6 6
376 2 2
388 1 1
389 1 1
463 2 2
464 1 1
477 6 6
478 29 29
479 15 15
480 7 7
481 2 2
//
system version 2.2.6-SNAPSHOT