MassBank Record: MSBNK-Kazusa-KZ000262
ACCESSION: MSBNK-Kazusa-KZ000262
RECORD_TITLE: Ribitol; GC-EI-TOF; MS; 5 TMS; BP:147
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_01656_P000113
CH$NAME: Ribitol
CH$NAME: Adonitol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C5H12O5
CH$EXACT_MASS: 152.06847
CH$SMILES: OC([C@H]([C@H]([C@H](CO)O)O)O)
CH$IUPAC: InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5-
CH$LINK: CAS
488-81-3
CH$LINK: CHEBI
15963
CH$LINK: CHEMSPIDER
10254628
CH$LINK: INCHIKEY
HEBKCHPVOIAQTA-ZXFHETKHSA-N
CH$LINK: KEGG
C00474
CH$LINK: KNAPSACK
C00001171
CH$LINK: NIKKAJI
J6.033J
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 1633.1
AC$CHROMATOGRAPHY: RETENTION_TIME 759.163 sec
MS$FOCUSED_ION: BASE_PEAK 147
MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0fr2-0930000000-5a1a8471040df361537c
PK$NUM_PEAK: 158
PK$PEAK: m/z int. rel.int.
82 2 2
83 15 15
84 5 5
85 16 16
86 5 5
87 28 28
88 21 21
89 103 103
90 9 9
91 4 4
94 2 2
95 1 1
96 1 1
97 4 4
98 2 2
99 16 16
100 2 2
101 110 110
102 19 19
103 943 943
104 96 96
105 47 47
106 3 3
107 1 1
109 1 1
111 11 11
112 2 2
113 22 22
114 3 3
115 28 28
116 38 38
117 359 359
118 39 39
119 35 35
120 3 3
121 2 2
125 2 2
126 1 1
127 8 8
128 2 2
129 411 411
130 52 52
131 109 109
132 16 16
133 214 214
134 29 29
135 18 18
136 1 1
141 3 3
142 6 6
143 29 29
144 4 4
145 12 12
146 3 3
147 999 999
148 173 173
149 108 108
150 12 12
151 6 6
152 2 2
153 4 4
154 1 1
155 17 17
156 3 3
157 76 76
158 10 10
159 10 10
160 2 2
161 10 10
162 2 2
163 15 15
164 2 2
165 1 1
169 3 3
170 7 7
171 7 7
172 1 1
173 3 3
174 1 1
175 21 21
176 4 4
177 12 12
178 2 2
179 1 1
185 1 1
187 2 2
188 1 1
189 175 175
190 38 38
191 67 67
192 11 11
193 6 6
194 1 1
201 3 3
202 1 1
203 35 35
204 118 118
205 270 270
206 57 57
207 33 33
208 5 5
209 2 2
215 2 2
216 1 1
217 547 547
218 155 155
219 66 66
220 11 11
221 28 28
222 6 6
223 4 4
224 1 1
229 22 22
230 7 7
231 7 7
232 1 1
233 1 1
237 1 1
242 3 3
243 50 50
244 12 12
245 7 7
246 2 2
247 2 2
249 1 1
263 1 1
265 1 1
277 36 36
278 14 14
279 7 7
280 2 2
291 11 11
292 4 4
293 2 2
305 4 4
306 6 6
307 79 79
308 24 24
309 12 12
310 2 2
317 16 16
318 5 5
319 156 156
320 48 48
321 24 24
322 5 5
323 1 1
331 1 1
332 33 33
333 11 11
334 5 5
335 1 1
395 2 2
396 1 1
407 1 1
422 6 6
423 3 3
424 1 1
//
system version 2.2.6-SNAPSHOT