MassBank Record: PR010107



 D-(+)-Galacturonic acid; GC-EI-TOF; MS; 5 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010107
RECORD_TITLE: D-(+)-Galacturonic acid; GC-EI-TOF; MS; 5 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: D-(+)-Galacturonic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H10O7 CH$EXACT_MASS: 194.04265 CH$SMILES: OC(=O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)C(O)1 CH$IUPAC: InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6?/m0/s1 CH$LINK: CAS 91510-62-2
AC$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: RETENTION_INDEX 1929.8 AC$CHROMATOGRAPHY: RETENTION_TIME 467.366 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C21H50O7Si5 MS$FOCUSED_ION: DERIVATIVE_MASS 554.24029 MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9511000000-2c767b1b67bd24959e9b PK$NUM_PEAK: 160 PK$PEAK: m/z int. rel.int. 60 4 4 61 5 5 66 3 3 67 3 3 69 1 1 70 4 4 71 3 3 72 16 16 73 999 999 74 85 85 75 53 53 76 4 4 77 6 6 82 3 3 83 3 3 84 2 2 85 3 3 86 4 4 87 3 3 88 1 1 89 47 47 90 4 4 91 2 2 98 1 1 99 4 4 100 8 8 101 8 8 102 12 12 103 32 32 104 3 3 105 23 23 106 2 2 107 1 1 111 1 1 112 1 1 113 2 2 114 8 8 115 6 6 116 4 4 117 9 9 118 1 1 119 4 4 126 1 1 127 3 3 128 3 3 129 17 17 130 8 8 131 19 19 132 3 3 133 41 41 134 5 5 135 3 3 140 1 1 141 1 1 142 4 4 143 52 52 144 7 7 145 6 6 146 1 1 147 182 182 148 27 27 149 18 18 150 2 2 151 1 1 156 1 1 157 2 2 158 4 4 159 2 2 160 153 153 161 20 20 162 7 7 163 7 7 164 1 1 168 1 1 170 1 1 171 18 18 172 4 4 173 4 4 174 2 2 175 2 2 177 1 1 186 1 1 189 36 36 190 8 8 191 14 14 192 2 2 193 1 1 200 1 1 201 1 1 203 1 1 204 19 19 205 6 6 206 2 2 207 4 4 208 1 1 214 1 1 215 2 2 216 7 7 217 27 27 218 6 6 219 17 17 220 3 3 221 9 9 222 2 2 223 1 1 228 1 1 229 1 1 230 1 1 231 6 6 232 2 2 233 2 2 234 2 2 240 1 1 242 1 1 244 1 1 245 3 3 246 2 2 247 1 1 248 1 1 256 2 2 257 1 1 261 1 1 262 1 1 263 1 1 274 6 6 275 1 1 277 7 7 278 2 2 279 1 1 291 3 3 292 6 6 293 2 2 294 1 1 305 12 12 306 5 5 307 2 2 314 3 3 315 1 1 318 2 2 319 1 1 321 1 1 332 4 4 333 139 139 334 42 42 335 21 21 336 4 4 337 1 1 345 1 1 364 6 6 365 2 2 366 1 1 388 1 1 393 2 2 394 1 1 395 1 1 419 1 1 422 1 1 423 11 11 424 4 4 425 2 2 //