MassBank Record: PR010108



 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: PR010108
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 1951.2 AC$CHROMATOGRAPHY: RETENTION_TIME 471.623 sec
MS$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$SPLASH: splash10-00di-9411000000-49f37b8e16fba30fd50e PK$NUM_PEAK: 132 PK$PEAK: m/z int. rel.int. 60 3 3 61 4 4 66 3 3 67 2 2 70 3 3 71 3 3 72 15 15 73 999 999 74 83 83 75 48 48 76 3 3 77 4 4 82 1 1 83 3 3 84 1 1 85 2 2 86 2 2 87 2 2 88 1 1 89 49 49 90 4 4 91 2 2 96 1 1 99 3 3 100 7 7 101 6 6 102 11 11 103 63 63 104 6 6 105 12 12 106 1 1 111 1 1 113 2 2 114 3 3 115 3 3 116 3 3 117 7 7 118 1 1 119 5 5 126 1 1 127 2 2 128 1 1 129 14 14 130 7 7 131 17 17 132 3 3 133 43 43 134 5 5 135 3 3 141 1 1 142 1 1 143 40 40 144 5 5 145 4 4 147 143 143 148 22 22 149 15 15 150 1 1 151 1 1 157 1 1 158 1 1 159 1 1 160 71 71 161 10 10 162 3 3 163 6 6 164 1 1 171 16 16 172 4 4 173 3 3 174 1 1 175 2 2 177 2 2 182 1 1 183 1 1 187 1 1 189 26 26 190 6 6 191 11 11 192 2 2 193 1 1 201 1 1 203 1 1 204 13 13 205 7 7 206 2 2 207 3 3 214 2 2 215 1 1 216 1 1 217 20 20 218 4 4 219 13 13 220 3 3 221 7 7 222 1 1 223 1 1 229 1 1 230 1 1 231 3 3 232 1 1 233 3 3 234 1 1 235 1 1 245 4 4 246 1 1 274 1 1 277 4 4 278 1 1 291 2 2 292 24 24 293 7 7 294 3 3 305 10 10 306 4 4 307 1 1 318 1 1 319 1 1 321 1 1 332 3 3 333 118 118 334 36 36 335 18 18 336 4 4 337 1 1 345 1 1 361 1 1 393 1 1 419 1 1 423 8 8 424 3 3 425 1 1 //