MassBank Record: JP011490



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

ACCESSION: JP011490
RECORD_TITLE: B-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$NAME: B-D-GLUCOSE PENTAACETATE CH$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$LINK: INCHIKEY LPTITAGPBXDDGR-IBEHDNSVSA-N
AC$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: splash10-0k97-5930000000-e21c830a522243fe6a57 PK$NUM_PEAK: 156 PK$PEAK: m/z int. rel.int. 39 4.68 47 40 7.81 78 41 17.67 177 42 20.59 206 43 67.62 676 44 60.52 605 45 12.74 127 46 1.05 11 48 1.56 16 53 4.16 42 54 3.54 35 55 14.83 148 56 6.56 66 57 22.48 225 58 1.95 20 60 10.88 109 61 14.6 146 67 3.67 37 68 7.38 74 69 46.39 464 70 25.19 252 71 20.2 202 72 1.93 19 73 47.74 477 74 5.65 57 76 1.41 14 77 1.26 13 78 4.15 42 79 1.64 16 80 18.17 182 81 49.54 495 82 11.04 110 83 8.81 88 84 9.31 93 85 42.15 422 86 25.53 255 87 3.83 38 88 1.24 12 89 2.91 29 91 2.04 20 93 2.67 27 94 8.84 88 95 6.36 64 96 6.29 63 97 55.95 560 98 74.15 742 99 38.84 388 100 4.38 44 101 9.84 98 102 25.95 260 103 64.51 645 104 8.89 89 105 1.95 20 107 6.45 65 108 1.58 16 109 31.11 311 110 5.33 53 111 7.16 72 112 26.19 262 113 23.88 239 114 36.54 365 115 80.78 808 116 39.9 399 117 4.65 47 119 1.05 11 121 2.43 24 122 3.54 35 123 3.47 35 124 1.34 13 125 8.78 88 126 48 480 127 32.46 325 128 6.89 69 129 5.04 50 130 1.1 11 131 17.86 179 132 1.9 19 133 1.31 13 135 1.64 16 136 3.3 33 137 3.89 39 138 3.18 32 139 36.06 361 140 73.72 737 141 23.18 232 142 3.98 40 143 21.14 211 144 13.71 137 145 70.9 709 146 8.95 90 147 2.19 22 149 18.4 184 150 2.87 29 151 1 10 152 1 10 153 3.01 30 154 1.1 11 155 32.77 328 156 9.24 92 157 86.74 867 158 70.61 706 159 10.85 109 160 1.26 13 161 2.61 26 167 10.8 108 168 37.72 377 169 46.43 464 170 5.73 57 171 4.84 48 173 3.95 40 175 2.02 20 182 26.22 262 183 3.8 38 185 5.94 59 186 11.21 112 187 9.55 96 188 1.25 13 191 1.08 11 192 1.05 11 196 1.07 11 197 22.82 228 198 3.66 37 199 51.16 512 200 84.77 848 201 18.57 186 202 3.05 31 203 11.68 117 204 1.8 18 205 1.07 11 210 10.92 109 211 22.52 225 212 3.41 34 215 27.76 278 216 3.52 35 217 2.91 29 224 1.34 13 228 25.51 255 229 10.31 103 230 1.61 16 236 2.15 22 242 99.99 999 243 49.7 497 244 8.54 85 245 21.34 213 246 3.53 35 259 2.17 22 270 5.77 58 271 2.03 20 279 6.84 68 280 1.35 14 287 2.65 27 288 9 90 289 2.32 23 317 4.54 45 331 8.84 88 347 1.83 18 //