MassBank Record: MSBNK-Kazusa-KZ000171
ACCESSION: MSBNK-Kazusa-KZ000171
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_P000135
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 1604.9
AC$CHROMATOGRAPHY: RETENTION_TIME 749.413 sec
MS$FOCUSED_ION: BASE_PEAK 174
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00dr-2900000000-b3b8bb38b339abe59aad
PK$NUM_PEAK: 81
PK$PEAK: m/z int. rel.int.
82 1 1
83 2 2
84 24 24
85 14 14
86 550 550
87 81 81
88 45 45
89 6 6
90 2 2
91 1 1
92 1 1
93 1 1
97 1 1
98 2 2
99 42 42
100 251 251
101 65 65
102 169 169
103 25 25
104 7 7
105 2 2
112 1 1
113 12 12
114 19 19
115 22 22
116 28 28
117 23 23
118 15 15
119 6 6
120 1 1
127 1 1
128 3 3
129 8 8
130 121 121
131 43 43
132 30 30
133 24 24
134 5 5
135 2 2
141 1 1
142 1 1
143 1 1
144 7 7
145 2 2
146 73 73
147 57 57
148 16 16
149 5 5
150 1 1
157 1 1
158 6 6
159 3 3
160 7 7
161 2 2
162 1 1
171 6 6
172 13 13
173 7 7
174 999 999
175 181 181
176 87 87
177 11 11
178 2 2
187 25 25
188 8 8
189 4 4
190 1 1
203 9 9
204 42 42
205 8 8
206 3 3
215 2 2
216 1 1
219 22 22
220 5 5
221 2 2
248 1 1
277 3 3
278 1 1
291 2 2
305 1 1
//