MassBank Record: KZ000070



 Pyridoxine; GC-EI-TOF; MS; 3 TMS; BP:147 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000070
RECORD_TITLE: Pyridoxine; GC-EI-TOF; MS; 3 TMS; BP:147
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01652_P000048

CH$NAME: Pyridoxine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C8H11NO3 CH$EXACT_MASS: 169.07389 CH$SMILES: OCc(c1)c(CO)c(O)c(C)n1 CH$IUPAC: InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3 CH$LINK: CAS 65-23-6 CH$LINK: KEGG C00314 CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023541
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 1985.6 AC$CHROMATOGRAPHY: RETENTION_TIME 883.862 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-000t-0940000000-30b4702623a6d8fcb4bb PK$NUM_PEAK: 212 PK$PEAK: m/z int. rel.int. 82 6 6 83 48 48 84 19 19 85 28 28 86 9 9 87 20 20 88 7 7 89 35 35 90 12 12 91 61 61 92 21 21 93 22 22 94 14 14 95 24 24 96 10 10 97 30 30 98 14 14 99 17 17 100 9 9 101 11 11 102 10 10 103 75 75 104 30 30 105 56 56 106 208 208 107 36 36 108 11 11 109 23 23 110 11 11 111 23 23 112 5 5 113 11 11 114 5 5 115 39 39 116 17 17 117 59 59 118 37 37 119 48 48 120 37 37 121 21 21 122 18 18 123 18 18 124 8 8 125 10 10 126 3 3 127 4 4 128 3 3 129 6 6 130 26 26 131 118 118 132 51 51 133 264 264 134 119 119 135 50 50 136 26 26 137 15 15 138 9 9 139 11 11 140 2 2 141 3 3 142 1 1 143 11 11 144 8 8 145 10 10 146 18 18 147 999 999 148 219 219 149 131 131 150 53 53 151 26 26 152 12 12 153 6 6 154 2 2 155 3 3 156 2 2 157 8 8 158 5 5 159 3 3 160 9 9 161 7 7 162 31 31 163 18 18 164 65 65 165 31 31 166 29 29 167 13 13 168 5 5 169 3 3 170 2 2 171 2 2 172 4 4 173 2 2 174 9 9 175 8 8 176 39 39 177 21 21 178 68 68 179 51 51 180 59 59 181 31 31 182 10 10 183 4 4 184 3 3 185 1 1 186 2 2 187 1 1 188 8 8 189 7 7 190 53 53 191 29 29 192 129 129 193 42 42 194 56 56 195 22 22 196 11 11 197 3 3 198 2 2 199 1 1 200 1 1 201 1 1 202 2 2 203 3 3 204 20 20 205 26 26 206 140 140 207 95 95 208 115 115 209 31 31 210 12 12 211 4 4 212 2 2 213 1 1 214 1 1 215 1 1 216 1 1 218 3 3 219 2 2 220 17 17 221 41 41 222 160 160 223 40 40 224 20 20 225 6 6 226 2 2 227 1 1 228 1 1 232 2 2 233 1 1 234 4 4 235 3 3 236 9 9 237 5 5 238 15 15 239 7 7 240 5 5 241 2 2 246 1 1 247 1 1 248 4 4 249 3 3 250 29 29 251 14 14 252 92 92 253 40 40 254 23 23 255 7 7 256 2 2 262 1 1 263 1 1 264 14 14 265 14 14 266 20 20 267 10 10 268 5 5 269 2 2 270 1 1 278 1 1 280 324 324 281 127 127 282 56 56 283 15 15 284 4 4 285 1 1 286 1 1 287 1 1 288 1 1 289 1 1 290 1 1 291 1 1 292 1 1 294 7 7 295 85 85 296 35 35 297 19 19 298 6 6 299 2 2 300 1 1 312 1 1 326 5 5 327 10 10 328 5 5 329 2 2 340 1 1 341 1 1 342 1 1 354 2 2 355 1 1 370 68 68 371 29 29 372 13 13 373 3 3 374 1 1 //

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