MassBank Record: MSBNK-Kazusa-KZ000218
ACCESSION: MSBNK-Kazusa-KZ000218
RECORD_TITLE: L-(-)-Arabitol; GC-EI-TOF; MS; 5 TMS; BP:103
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_01547_P000031
CH$NAME: L-(-)-Arabitol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C5H12O5
CH$EXACT_MASS: 152.06847
CH$SMILES: C([C@@H](C([C@H](CO)O)O)O)O
CH$IUPAC: InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1
CH$LINK: CAS
7643-75-6
CH$LINK: KEGG
C00532
CH$LINK: INCHIKEY
HEBKCHPVOIAQTA-IMJSIDKUSA-N
CH$LINK: COMPTOX
DTXSID30884411
CH$LINK: PUBCHEM
CID:439255
AC$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$CHROMATOGRAPHY: RETENTION_INDEX 1638.0
AC$CHROMATOGRAPHY: RETENTION_TIME 762.013 sec
MS$FOCUSED_ION: BASE_PEAK 103
MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0uxs-0930000000-6ef7d2f1643b576f6fbf
PK$NUM_PEAK: 155
PK$PEAK: m/z int. rel.int.
82 2 2
83 12 12
84 5 5
85 15 15
86 5 5
87 29 29
88 22 22
89 100 100
90 10 10
91 5 5
92 1 1
93 1 1
94 3 3
95 2 2
96 1 1
97 4 4
98 2 2
99 17 17
100 3 3
101 110 110
102 19 19
103 999 999
104 100 100
105 48 48
106 3 3
107 1 1
109 1 1
111 13 13
112 2 2
113 20 20
114 3 3
115 26 26
116 40 40
117 322 322
118 35 35
119 31 31
120 3 3
121 1 1
125 2 2
126 1 1
127 7 7
128 2 2
129 384 384
130 48 48
131 103 103
132 16 16
133 195 195
134 27 27
135 17 17
136 2 2
137 1 1
141 3 3
142 4 4
143 27 27
144 4 4
145 11 11
146 3 3
147 863 863
148 143 143
149 88 88
150 10 10
151 4 4
152 1 1
153 4 4
154 1 1
155 12 12
156 2 2
157 44 44
158 6 6
159 7 7
160 1 1
161 7 7
162 1 1
163 11 11
164 2 2
165 1 1
169 2 2
170 4 4
171 6 6
172 1 1
173 3 3
174 1 1
175 20 20
176 4 4
177 12 12
178 2 2
179 1 1
185 1 1
187 2 2
188 1 1
189 105 105
190 26 26
191 67 67
192 12 12
193 6 6
194 1 1
201 2 2
202 1 1
203 35 35
204 105 105
205 237 237
206 50 50
207 30 30
208 5 5
209 2 2
215 2 2
216 3 3
217 532 532
218 132 132
219 57 57
220 10 10
221 22 22
222 5 5
223 3 3
224 1 1
229 11 11
230 3 3
231 4 4
232 1 1
242 2 2
243 41 41
244 10 10
245 6 6
246 1 1
247 1 1
249 1 1
263 1 1
265 1 1
277 30 30
278 13 13
279 6 6
280 1 1
291 10 10
292 4 4
293 2 2
305 4 4
306 10 10
307 99 99
308 33 33
309 15 15
310 3 3
317 14 14
318 8 8
319 92 92
320 29 29
321 13 13
322 3 3
331 1 1
332 12 12
333 4 4
334 2 2
395 3 3
396 1 1
422 2 2
423 1 1
//