MassBank Record: JP011491



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

ACCESSION: JP011491
RECORD_TITLE: A-D-GALACTOSE 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$NAME: A-D-GALACTOSE PENTAACETATE CH$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: splash10-0fr6-6930000000-9800b852e2198d41f783 PK$NUM_PEAK: 128 PK$PEAK: m/z int. rel.int. 39 2.72 27 40 6.52 65 41 15.22 152 42 10.2 102 43 68.03 680 44 46.56 466 45 7.4 74 53 2.76 28 54 2.14 21 55 15.06 151 56 5.33 53 57 21.66 217 58 1.33 13 60 8.78 88 61 8.83 88 67 3.7 37 68 5.13 51 69 32.63 326 70 13.63 136 71 14.7 147 72 1.33 13 73 33.33 333 74 2.82 28 78 1.19 12 79 1.17 12 80 8.09 81 81 31.89 319 82 7.39 74 83 7.97 80 84 5.36 54 85 16.26 163 86 11.22 112 87 2.63 26 88 1.05 11 89 1.55 16 93 2.24 22 94 3.4 34 95 4.75 48 96 4.27 43 97 32.76 328 98 69.15 692 99 21 210 100 2.29 23 101 5.56 56 102 10.53 105 103 54.66 547 104 4.31 43 105 1.3 13 107 3.3 33 109 35.67 357 110 5.48 55 111 5.02 50 112 11.32 113 113 8.89 89 114 17.75 178 115 77.17 772 117 19.12 191 118 2.39 24 121 2.37 24 122 1.92 19 123 3.25 33 124 1.13 11 125 4.39 44 126 17.78 178 127 26.04 260 128 4 40 129 3.71 37 131 8.09 81 135 1.6 16 136 3.29 33 137 3.87 39 138 1.89 19 139 15.76 158 140 60.61 606 141 11.46 115 142 1.65 17 143 10.02 100 144 5.45 55 145 50.85 509 146 4.05 41 147 1.25 13 149 17.86 179 150 2.19 22 151 1.03 10 153 1.64 16 155 6.74 67 156 3.66 37 157 81.95 820 158 48.4 484 159 5.6 56 161 1.01 10 167 9.68 97 168 10.25 103 169 59.05 591 170 6.74 67 171 2.66 27 173 1.27 13 182 12.33 123 183 2.04 20 185 2.65 27 186 4.63 46 187 5.42 54 197 6.3 63 199 24.69 247 200 68.32 683 201 9.46 95 202 1.14 11 203 6.51 65 210 4.03 40 211 8.73 87 212 1.25 13 215 2.54 25 224 1.06 11 228 5.32 53 229 5.76 58 242 99.99 999 243 32.44 324 244 5.67 57 245 18.14 181 246 3.12 31 256 2.87 29 270 2.28 23 271 1.15 12 276 7.01 70 280 1.43 14 288 2.93 29 331 59.78 598 332 14.79 148 //