MassBank Record: MSBNK-Kazusa-KZ000237
ACCESSION: MSBNK-Kazusa-KZ000237
RECORD_TITLE: L-(-)-Proline; GC-EI-TOF; MS; 2 TMS; BP:142
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_04895_P000059
CH$NAME: L-Proline
CH$NAME: L-(-)-Proline
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C5H9NO2
CH$EXACT_MASS: 115.06333
CH$SMILES: OC(=O)C([H])(C1)NCC1
CH$IUPAC: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
CH$LINK: CAS
147-85-3
CH$LINK: KEGG
C00148
CH$LINK: INCHIKEY
ONIBWKKTOPOVIA-BYPYZUCNSA-N
CH$LINK: COMPTOX
DTXSID5044021
AC$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 1459.9 sec
MS$FOCUSED_ION: BASE_PEAK 142
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0006-0910000000-a9127c0e370afb80259b
PK$NUM_PEAK: 144
PK$PEAK: m/z int. rel.int.
82 3 3
83 4 4
84 22 22
85 14 14
86 22 22
87 9 9
88 7 7
89 5 5
90 1 1
93 1 1
94 1 1
95 1 1
96 11 11
97 9 9
98 8 8
99 63 63
100 40 40
101 17 17
102 7 7
103 13 13
104 1 1
105 6 6
106 2 2
107 3 3
109 1 1
110 4 4
111 1 1
112 4 4
113 14 14
114 7 7
115 15 15
116 10 10
117 42 42
118 5 5
119 8 8
120 2 2
121 2 2
122 1 1
123 1 1
124 6 6
125 1 1
126 18 18
127 3 3
128 7 7
129 9 9
130 3 3
131 26 26
132 7 7
133 49 49
134 7 7
135 4 4
136 2 2
137 4 4
138 1 1
140 12 12
141 8 8
142 999 999
143 153 153
144 50 50
145 6 6
146 2 2
147 272 272
148 45 45
149 25 25
150 3 3
151 1 1
152 2 2
153 2 2
154 3 3
155 9 9
156 3 3
157 1 1
158 3 3
159 3 3
160 1 1
161 2 2
163 1 1
164 1 1
165 1 1
167 1 1
168 2 2
169 2 2
170 28 28
171 7 7
172 6 6
173 2 2
174 3 3
175 2 2
180 1 1
183 1 1
184 2 2
185 4 4
186 558 558
187 84 84
188 26 26
189 4 4
190 2 2
191 1 1
193 1 1
198 2 2
202 1 1
203 1 1
213 3 3
214 2 2
215 1 1
216 162 162
217 39 39
218 16 16
219 3 3
230 1 1
242 1 1
244 11 11
245 3 3
246 2 2
247 1 1
258 1 1
260 2 2
261 1 1
287 4 4
288 47 47
289 12 12
290 5 5
291 1 1
292 1 1
296 1 1
302 1 1
303 5 5
304 1 1
305 1 1
309 1 1
317 1 1
321 1 1
323 1 1
373 1 1
381 1 1
385 1 1
401 1 1
406 1 1
413 1 1
428 1 1
443 1 1
455 1 1
479 1 1
480 1 1
//
system version 2.2.6-SNAPSHOT