MassBank Record: KZ000104



 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: KZ000104
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_04996_P000055

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$CHROMATOGRAPHY: RETENTION_TIME 1056.04 sec
MS$FOCUSED_ION: BASE_PEAK 233 MS$FOCUSED_ION: DERIVATIVE_TYPE 0 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0faj-2970000000-4b2dc64a826d132a7ac2 PK$NUM_PEAK: 164 PK$PEAK: m/z int. rel.int. 82 13 13 83 63 63 84 14 14 85 45 45 86 21 21 87 180 180 88 156 156 89 95 95 90 34 34 91 232 232 92 28 28 93 43 43 94 24 24 95 64 64 96 11 11 97 26 26 98 17 17 99 68 68 100 11 11 101 54 54 102 580 580 103 336 336 104 34 34 105 53 53 106 9 9 107 25 25 108 5 5 109 30 30 110 7 7 111 13 13 112 3 3 113 6 6 114 5 5 115 150 150 116 32 32 117 54 54 118 15 15 119 65 65 120 11 11 121 28 28 122 6 6 123 14 14 124 3 3 125 6 6 126 3 3 127 12 12 128 22 22 129 47 47 130 19 19 131 97 97 132 16 16 133 29 29 134 8 8 135 53 53 136 10 10 137 15 15 138 2 2 139 2 2 140 1 1 141 3 3 142 1 1 143 21 21 144 8 8 145 53 53 146 12 12 147 97 97 148 21 21 149 103 103 150 17 17 151 43 43 152 7 7 153 3 3 154 1 1 155 1 1 157 6 6 158 2 2 159 46 46 160 9 9 161 59 59 162 34 34 163 45 45 164 9 9 165 324 324 166 55 55 167 17 17 168 2 2 169 2 2 170 1 1 171 6 6 172 2 2 173 21 21 174 10 10 175 52 52 176 16 16 177 510 510 178 94 94 179 29 29 180 4 4 181 1 1 185 5 5 186 2 2 187 7 7 188 3 3 189 86 86 190 25 25 191 13 13 192 3 3 193 2 2 194 1 1 195 1 1 196 1 1 197 1 1 198 1 1 199 3 3 200 1 1 201 3 3 202 2 2 203 29 29 204 16 16 205 363 363 206 80 80 207 23 23 208 4 4 209 2 2 210 1 1 211 2 2 212 2 2 213 4 4 214 2 2 215 3 3 216 2 2 217 10 10 218 7 7 219 16 16 220 275 275 221 69 69 222 20 20 223 3 3 224 1 1 227 1 1 230 1 1 231 3 3 232 14 14 233 999 999 234 178 178 235 56 56 236 8 8 237 2 2 238 1 1 239 2 2 240 2 2 241 3 3 242 1 1 243 1 1 244 1 1 246 1 1 247 11 11 248 648 648 249 131 131 250 36 36 251 5 5 255 1 1 269 3 3 312 2 2 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)