MassBank Record: JP011489



 A-D-GLUCOSE PENTAACETATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP011489
RECORD_TITLE: A-D-GLUCOSE PENTAACETATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: FUJISE YHAMAMATSU UNIV. SCHOOL OF MEDICINE, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: A-D-GLUCOSE PENTAACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H22O11 CH$EXACT_MASS: 390.11621 CH$SMILES: CC(=O)OCC([H])(O1)C([H])(OC(C)=O)C([H])(OC(C)=O)C([H])(OC(C)=O)C([H])(OC(C)=O)1 CH$IUPAC: InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3 CH$LINK: INCHIKEY LPTITAGPBXDDGR-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-DX-300 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0fr7-5930000000-4744f03cb713ca68d089 PK$NUM_PEAK: 128 PK$PEAK: m/z int. rel.int. 39 2.29 23 40 4.55 46 41 8.51 85 42 11.8 118 43 68.83 688 44 47.91 479 45 6.67 67 51 1.32 13 53 2.3 23 54 1.73 17 55 8.3 83 56 0.35 4 57 11.98 120 60 6.26 63 61 10.6 106 67 1.52 15 68 3.51 35 69 21.77 218 70 12.57 126 71 9.61 96 73 32.57 326 74 3.39 34 77 2.25 23 78 2.25 23 80 8.66 87 81 27.91 279 82 6.16 62 83 4.08 41 84 3.77 38 85 18.54 185 86 14.36 144 87 2.13 21 89 1.66 17 94 5.22 52 95 2.67 27 96 3.14 31 97 42.94 429 98 70.43 704 99 22.19 222 100 2.43 24 101 5.16 52 102 14.36 144 103 60.54 605 104 4.48 45 105 1.05 11 107 3.72 37 109 52.32 523 110 7.05 71 111 3.8 38 112 13.72 137 113 10.63 106 114 19.52 195 115 79.17 792 116 23.1 231 117 2.47 25 122 1.69 17 123 1.25 13 125 3.77 38 126 23 230 127 28.41 284 128 4.52 45 129 2.66 27 131 9.32 93 132 1.01 10 137 1.2 12 138 1.66 17 139 22.13 221 140 65.88 659 141 13.02 130 142 1.85 19 143 11.75 118 144 8.04 80 145 61.38 614 146 4.75 48 147 1 10 149 5.59 56 152 1.39 14 153 1.75 18 154 1.05 11 155 11.88 119 156 4.29 43 157 83.84 838 158 51.4 514 159 5.45 55 161 1.13 11 167 3.49 35 168 15.56 156 169 72.96 730 170 9.97 100 171 3.35 34 173 1.88 19 182 14.5 145 183 3.38 34 185 3.5 35 186 6.35 64 187 6.01 60 197 11.15 112 198 1.69 17 199 27.02 270 200 74.79 748 201 13.05 131 202 1.89 19 203 5.41 54 210 5.19 52 211 14.07 141 212 2.07 21 215 8.51 85 216 1.12 11 217 1.23 12 228 7.83 78 229 5.07 51 242 99.99 999 243 32.55 326 244 5.86 59 245 10.92 109 246 1.7 17 270 3.29 33 271 6.44 64 272 1.14 11 277 9.46 95 278 6.72 67 279 3.42 34 287 1.55 16 288 4.94 49 289 3.4 34 317 1.22 12 331 35.1 351 347 1.26 13 //