MassBank Record: KZ000009



 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: KZ000009
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_01419_P000156

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 2364.8 AC$CHROMATOGRAPHY: RETENTION_TIME 1058.83 sec
MS$FOCUSED_ION: BASE_PEAK 233 MS$FOCUSED_ION: DERIVATIVE_TYPE 0 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0f8a-2980000000-3aeee58378773e7d1219 PK$NUM_PEAK: 153 PK$PEAK: m/z int. rel.int. 82 8 8 83 44 44 84 7 7 85 36 36 86 20 20 87 110 110 88 132 132 89 87 87 90 31 31 91 214 214 92 24 24 93 36 36 94 20 20 95 52 52 96 7 7 97 13 13 98 11 11 99 59 59 100 9 9 101 43 43 102 548 548 103 310 310 104 31 31 105 45 45 106 8 8 107 21 21 108 4 4 109 25 25 110 4 4 111 8 8 112 1 1 113 5 5 114 4 4 115 126 126 116 27 27 117 47 47 118 14 14 119 58 58 120 9 9 121 24 24 122 5 5 123 11 11 124 2 2 125 4 4 126 2 2 127 10 10 128 18 18 129 35 35 130 14 14 131 85 85 132 14 14 133 25 25 134 7 7 135 42 42 136 8 8 137 13 13 138 2 2 139 1 1 141 2 2 142 1 1 143 8 8 144 6 6 145 46 46 146 11 11 147 86 86 148 17 17 149 85 85 150 14 14 151 36 36 152 6 6 153 2 2 155 1 1 157 3 3 158 1 1 159 39 39 160 8 8 161 51 51 162 30 30 163 39 39 164 8 8 165 269 269 166 44 44 167 14 14 168 1 1 169 1 1 171 3 3 172 1 1 173 19 19 174 9 9 175 48 48 176 13 13 177 448 448 178 87 87 179 26 26 180 3 3 181 1 1 185 3 3 186 1 1 187 6 6 188 2 2 189 72 72 190 20 20 191 10 10 192 3 3 193 2 2 194 1 1 195 1 1 196 1 1 197 1 1 198 1 1 199 1 1 201 2 2 202 2 2 203 28 28 204 15 15 205 340 340 206 80 80 207 22 22 208 3 3 209 1 1 210 1 1 211 1 1 212 1 1 213 1 1 214 1 1 215 2 2 216 2 2 217 7 7 218 6 6 219 14 14 220 244 244 221 62 62 222 18 18 223 3 3 224 1 1 231 2 2 232 11 11 233 999 999 234 187 187 235 53 53 236 7 7 237 1 1 238 1 1 239 1 1 240 1 1 241 1 1 242 1 1 243 1 1 247 9 9 248 682 682 249 127 127 250 34 34 251 4 4 //

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