MassBank Record: MSBNK-Kazusa-KZ000172
ACCESSION: MSBNK-Kazusa-KZ000172
RECORD_TITLE: DL-2,3-Diaminopropionic acid; GC-EI-TOF; MS; 3 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_01393_P000138
CH$NAME: 2,3-Diaminopropionic acid
CH$NAME: DL-2,3-Diaminopropionic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C3H8N2O2
CH$EXACT_MASS: 104.05858
CH$SMILES: NCC(N)C(O)=O
CH$IUPAC: InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)
CH$LINK: CAS
515-94-6
CH$LINK: KEGG
C06393
CH$LINK: INCHIKEY
PECYZEOJVXMISF-UHFFFAOYSA-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 1625.3
AC$CHROMATOGRAPHY: RETENTION_TIME 759.263 sec
MS$FOCUSED_ION: BASE_PEAK 174
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-2900000000-a95f603459acd4130048
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
82 1 1
83 2 2
84 41 41
85 11 11
86 299 299
87 29 29
88 23 23
89 1 1
92 1 1
93 2 2
98 3 3
99 22 22
100 185 185
101 100 100
102 70 70
103 17 17
104 1 1
105 1 1
113 10 10
114 8 8
115 23 23
116 14 14
117 16 16
118 5 5
119 7 7
127 1 1
129 17 17
130 70 70
131 20 20
132 30 30
133 18 18
137 1 1
142 2 2
143 2 2
144 10 10
145 1 1
146 44 44
147 53 53
148 9 9
149 4 4
151 1 1
157 1 1
158 7 7
159 8 8
160 10 10
161 2 2
162 1 1
170 1 1
171 22 22
172 19 19
173 6 6
174 999 999
175 66 66
186 1 1
187 7 7
188 4 4
190 2 2
191 11 11
192 1 1
201 1 1
202 2 2
203 9 9
204 2 2
205 1 1
207 1 1
218 4 4
219 1 1
220 1 1
221 1 1
243 2 2
246 2 2
247 1 1
248 7 7
249 2 2
250 1 1
259 8 8
260 3 3
275 9 9
276 4 4
277 3 3
290 11 11
291 32 32
292 8 8
349 2 2
//
system version 2.2.6-SNAPSHOT