MassBank Record: KZ000103



 4-Methylumbelliferone; GC-EI-TOF; MS; 0 TMS; BP:233 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000103
RECORD_TITLE: 4-Methylumbelliferone; GC-EI-TOF; MS; 0 TMS; BP:233
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_04992_P000058

CH$NAME: 4-Methylumbelliferone CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C10H8O3 CH$EXACT_MASS: 176.04734 CH$SMILES: Oc(c2)cc(O1)c(c2)C(C)=CC(=O)1 CH$IUPAC: InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3 CH$LINK: CAS 90-33-5 CH$LINK: KEGG C03081 CH$LINK: INCHIKEY HSHNITRMYYLLCV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025670
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 0.0000 AC$CHROMATOGRAPHY: RETENTION_TIME 1057.61 sec
MS$FOCUSED_ION: BASE_PEAK 233 MS$FOCUSED_ION: DERIVATIVE_TYPE 0 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0f89-2960000000-1ab50bc14647991bd5d2 PK$NUM_PEAK: 156 PK$PEAK: m/z int. rel.int. 82 6 6 83 50 50 84 8 8 85 29 29 86 13 13 87 143 143 88 155 155 89 87 87 90 34 34 91 253 253 92 24 24 93 34 34 94 28 28 95 47 47 96 8 8 97 21 21 98 19 19 99 67 67 100 8 8 101 51 51 102 532 532 103 348 348 104 36 36 105 64 64 106 10 10 107 21 21 108 5 5 109 29 29 110 5 5 111 11 11 112 4 4 113 6 6 114 6 6 115 148 148 116 28 28 117 54 54 118 19 19 119 65 65 120 12 12 121 25 25 122 5 5 123 11 11 124 2 2 125 6 6 126 4 4 127 7 7 128 24 24 129 50 50 130 21 21 131 97 97 132 13 13 133 27 27 134 7 7 135 53 53 136 7 7 137 16 16 138 2 2 139 3 3 140 1 1 141 3 3 142 2 2 143 13 13 144 8 8 145 53 53 146 13 13 147 107 107 148 21 21 149 116 116 150 14 14 151 40 40 152 2 2 153 2 2 155 3 3 157 6 6 159 44 44 160 5 5 161 53 53 162 27 27 163 45 45 164 11 11 165 310 310 166 56 56 167 19 19 168 3 3 169 1 1 171 5 5 172 3 3 173 23 23 174 11 11 175 48 48 176 14 14 177 488 488 178 75 75 179 17 17 180 5 5 181 1 1 185 5 5 186 3 3 187 7 7 188 4 4 189 83 83 190 24 24 191 6 6 192 3 3 193 2 2 194 1 1 195 2 2 197 1 1 198 1 1 199 2 2 200 2 2 201 3 3 202 1 1 203 32 32 204 11 11 205 379 379 206 63 63 207 15 15 208 1 1 209 2 2 210 1 1 211 1 1 213 1 1 214 3 3 215 3 3 216 2 2 217 5 5 218 4 4 219 18 18 220 290 290 221 52 52 222 12 12 223 3 3 224 1 1 225 1 1 226 1 1 231 2 2 232 16 16 233 999 999 234 167 167 235 58 58 236 4 4 237 2 2 238 2 2 239 1 1 240 3 3 241 1 1 243 2 2 246 1 1 247 7 7 248 286 286 249 67 67 251 2 2 255 1 1 269 1 1 312 1 1 //

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