MassBank Record: MSBNK-RIKEN-PR010149
ACCESSION: MSBNK-RIKEN-PR010149
RECORD_TITLE: DL-2,3-Diaminopropionic acid; GC-EI-TOF; MS; 2 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
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$LINK: CAS
54879-59-5
CH$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$CHROMATOGRAPHY: RETENTION_INDEX 1399
AC$CHROMATOGRAPHY: RETENTION_TIME 377.755 sec
MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C9H24N2O2Si2
MS$FOCUSED_ION: DERIVATIVE_MASS 248.13763
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0fk9-8910000000-a19cd44b47411c17b85b
PK$NUM_PEAK: 97
PK$PEAK: m/z int. rel.int.
60 18 18
61 12 12
62 2 2
63 1 1
66 6 6
67 1 1
69 1 1
70 12 12
71 7 7
72 42 42
73 999 999
74 128 128
75 95 95
76 9 9
77 24 24
78 2 2
79 6 6
82 1 1
83 1 1
84 13 13
85 6 6
86 48 48
87 13 13
88 18 18
89 4 4
90 2 2
92 1 1
98 2 2
99 26 26
100 63 63
101 174 174
102 801 801
103 93 93
104 32 32
105 3 3
113 3 3
114 10 10
115 21 21
116 11 11
117 8 8
118 5 5
119 4 4
120 1 1
128 2 2
129 47 47
130 17 17
131 17 17
132 31 31
133 22 22
134 5 5
135 1 1
142 1 1
143 1 1
144 4 4
145 1 1
146 5 5
147 57 57
148 13 13
149 6 6
158 3 3
159 7 7
160 6 6
161 1 1
171 3 3
172 2 2
173 1 1
174 4 4
176 11 11
177 2 2
178 1 1
187 10 10
188 4 4
189 1 1
190 1 1
191 1 1
202 1 1
203 20 20
204 28 28
205 6 6
206 3 3
215 1 1
216 1 1
218 6 6
219 10 10
220 3 3
221 2 2
248 7 7
249 2 2
250 1 1
276 3 3
277 3 3
278 1 1
290 1 1
291 71 71
292 21 21
293 10 10
294 2 2
//