MassBank Record: MSBNK-Kazusa-KZ000238
ACCESSION: MSBNK-Kazusa-KZ000238
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_05066_P000047
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 821.341 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: splash10-000f-0910000000-3195f21e625520d51316
PK$NUM_PEAK: 112
PK$PEAK: m/z int. rel.int.
82 5 5
83 7 7
84 25 25
85 17 17
86 22 22
87 9 9
88 7 7
89 4 4
90 1 1
92 1 1
93 4 4
94 2 2
95 3 3
96 10 10
97 6 6
98 18 18
99 59 59
100 37 37
101 17 17
102 9 9
103 6 6
104 1 1
105 4 4
106 1 1
107 3 3
108 1 1
110 3 3
111 2 2
112 4 4
113 14 14
114 5 5
115 14 14
116 10 10
117 38 38
118 6 6
119 6 6
120 2 2
121 1 1
122 1 1
123 1 1
124 4 4
125 2 2
126 17 17
127 2 2
128 6 6
130 2 2
131 23 23
132 6 6
133 43 43
134 7 7
135 4 4
136 2 2
137 4 4
138 1 1
139 1 1
140 12 12
141 7 7
142 999 999
143 148 148
144 46 46
145 5 5
146 2 2
147 251 251
148 42 42
149 22 22
150 2 2
152 1 1
154 2 2
156 1 1
158 2 2
159 3 3
160 1 1
161 1 1
166 1 1
167 1 1
168 1 1
169 1 1
170 21 21
171 5 5
172 4 4
173 1 1
174 2 2
176 1 1
184 2 2
185 4 4
186 585 585
187 85 85
188 27 27
190 1 1
198 2 2
199 1 1
200 1 1
213 3 3
214 2 2
215 1 1
216 165 165
217 32 32
218 14 14
219 2 2
244 9 9
245 2 2
246 1 1
260 2 2
261 1 1
287 5 5
288 54 54
289 13 13
290 5 5
291 1 1
302 1 1
303 4 4
304 1 1
//
system version 2.2.6-SNAPSHOT