MassBank Record: KZ000102



 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: KZ000102
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_01426_P000045

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 2349.6 AC$CHROMATOGRAPHY: RETENTION_TIME 1018.06 sec
MS$FOCUSED_ION: BASE_PEAK 233 MS$FOCUSED_ION: DERIVATIVE_TYPE 0 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0ugj-2960000000-f6994262beea96fffc26 PK$NUM_PEAK: 155 PK$PEAK: m/z int. rel.int. 82 12 12 83 62 62 84 11 11 85 53 53 86 28 28 87 159 159 88 194 194 89 126 126 90 45 45 91 302 302 92 36 36 93 54 54 94 30 30 95 74 74 96 10 10 97 19 19 98 15 15 99 87 87 100 14 14 101 63 63 102 793 793 103 475 475 104 49 49 105 70 70 106 13 13 107 32 32 108 6 6 109 38 38 110 7 7 111 12 12 112 2 2 113 7 7 114 6 6 115 201 201 116 43 43 117 76 76 118 22 22 119 90 90 120 15 15 121 38 38 122 8 8 123 19 19 124 3 3 125 6 6 126 3 3 127 16 16 128 29 29 129 56 56 130 24 24 131 139 139 132 23 23 133 40 40 134 12 12 135 69 69 136 14 14 137 21 21 138 3 3 139 2 2 141 4 4 142 1 1 143 13 13 144 10 10 145 73 73 146 18 18 147 133 133 148 26 26 149 138 138 150 23 23 151 58 58 152 9 9 153 4 4 155 1 1 156 1 1 157 4 4 158 2 2 159 61 61 160 12 12 161 78 78 162 48 48 163 62 62 164 12 12 165 421 421 166 71 71 167 23 23 168 3 3 169 2 2 170 1 1 171 5 5 172 2 2 173 30 30 174 15 15 175 78 78 176 21 21 177 747 747 178 143 143 179 45 45 180 6 6 181 2 2 185 5 5 186 2 2 187 10 10 188 4 4 189 118 118 190 33 33 191 16 16 192 4 4 193 2 2 194 1 1 195 1 1 196 1 1 197 1 1 198 1 1 199 1 1 201 3 3 202 3 3 203 43 43 204 22 22 205 514 514 206 113 113 207 33 33 208 5 5 209 2 2 210 1 1 211 1 1 212 1 1 213 2 2 214 1 1 215 3 3 216 2 2 217 8 8 218 8 8 219 17 17 220 305 305 221 68 68 222 20 20 223 3 3 231 2 2 232 10 10 233 999 999 234 203 203 235 61 61 236 8 8 237 1 1 238 1 1 239 1 1 240 2 2 241 1 1 242 1 1 243 1 1 247 15 15 248 831 831 249 181 181 250 53 53 251 7 7 252 1 1 //

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