MassBank Record: JP011452



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

ACCESSION: JP011452
RECORD_TITLE: B-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$NAME: B-D-GALACTOSE PENTAACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H22O11 CH$EXACT_MASS: 390.11621 CH$SMILES: CC(=O)OCC(O1)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)1 CH$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/t12-,13+,14+,15-,16-/m1/s1 CH$LINK: INCHIKEY LPTITAGPBXDDGR-LYYZXLFJSA-N
AC$INSTRUMENT: JEOL JMS-D-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: splash10-0006-6930000000-eaaf976fb6e9844998a4 PK$NUM_PEAK: 154 PK$PEAK: m/z int. rel.int. 39 3.24 32 40 7.38 74 41 19 190 42 1.09 11 43 73.81 738 44 60.16 602 45 9.33 93 48 1.48 15 53 2.78 28 54 2.48 25 55 17.96 180 56 7.42 74 57 28.58 286 58 1.69 17 59 1.21 12 60 9.43 94 61 8.17 82 67 5.02 50 68 7.11 71 69 40.09 401 70 16.21 162 71 18.7 187 72 1.4 14 73 30.37 304 74 3.48 35 76 1.59 16 77 1.18 12 78 4.82 48 79 1.66 17 80 7.38 74 81 36.38 364 82 8.46 85 83 10.43 104 84 7.98 80 85 20.51 205 86 12.51 125 87 2.46 25 88 1.41 14 89 1.7 17 91 2.29 23 93 3.56 36 94 10.07 101 95 7.85 79 96 5.25 53 97 29.95 300 98 71.92 719 99 19.59 196 100 2.29 23 101 8.95 90 102 10.29 103 103 57.2 572 104 5.46 55 105 1.86 19 107 7.76 78 108 1.84 18 109 20.31 203 110 4.59 46 111 6.21 62 112 12.03 120 113 11.58 116 114 14.86 149 115 79.99 800 116 16.26 163 117 2.33 23 119 1.09 11 121 3.53 35 122 2.3 23 123 4.54 45 124 1.57 16 125 5.57 56 126 22.18 222 127 22.62 226 128 5.12 51 129 4.4 44 131 7.25 73 132 1.23 12 133 1.57 16 135 2.44 24 136 5.15 52 137 5.8 58 138 2.41 24 139 13.93 139 140 53.16 532 141 10.39 104 142 1.57 16 143 26.94 269 144 6.49 65 145 57.53 575 146 4.76 48 147 1.92 19 149 30.73 307 150 4.28 43 151 1.57 16 152 1.01 10 153 1.87 19 154 1.01 10 155 8.33 83 156 3.26 33 157 84.86 849 158 44.98 450 159 4.98 50 161 1.81 18 163 1.17 12 167 16.57 166 168 25.49 255 169 34.3 343 170 4.08 41 171 2.27 23 173 1.78 18 175 1.62 16 182 10.1 101 183 1.93 19 185 3.94 39 186 5.72 57 187 4.7 47 191 1.41 14 192 1.41 14 196 1.7 17 197 5.57 56 199 20.08 201 200 57.86 579 201 8.48 85 202 1.27 13 203 11.73 117 204 1.46 15 210 10.6 106 211 8.5 85 212 1.19 12 213 1.19 12 215 5.16 52 217 3.27 33 224 1.42 14 228 12.51 125 229 5.69 57 242 99.99 999 243 25.1 251 244 3.8 38 245 30.73 307 246 5.31 53 247 1.1 11 256 4.23 42 257 1.18 12 259 0.99 10 270 2.92 29 279 13.15 132 280 3.33 33 287 1.68 17 288 4.96 50 289 1.4 14 327 1.39 14 331 22.09 221 341 1.19 12 368 1.34 13 386 1.44 14 //