MassBank Record: PR010093



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

ACCESSION: PR010093
RECORD_TITLE: 4-Methylumbelliferone; GC-EI-TOF; MS; BP:233
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: 7-Hydroxy-4-methylcoumarin CH$NAME: Hymecromone 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: CHEBI 17224 CH$LINK: KEGG C03081 CH$LINK: NIKKAJI J3.914D CH$LINK: PUBCHEM 5979
AC$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: RETENTION_INDEX 2018.8 AC$CHROMATOGRAPHY: RETENTION_TIME 484.971 sec
MS$FOCUSED_ION: BASE_PEAK 233 MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0fna-9870000000-9adb76fb1e3b45a0c884 PK$NUM_PEAK: 175 PK$PEAK: m/z int. rel.int. 60 18 18 61 64 64 62 77 77 63 179 179 64 37 37 65 181 181 66 32 32 67 112 112 68 2 2 69 43 43 70 15 15 71 22 22 72 25 25 73 915 915 74 144 144 75 256 256 76 108 108 77 456 456 78 64 64 79 105 105 80 12 12 81 18 18 82 9 9 83 45 45 84 7 7 85 37 37 86 18 18 87 118 118 88 146 146 89 82 82 90 29 29 91 204 204 92 25 25 93 38 38 94 22 22 95 59 59 96 8 8 97 13 13 98 10 10 99 59 59 100 9 9 101 40 40 102 591 591 103 308 308 104 30 30 105 46 46 106 8 8 107 21 21 108 4 4 109 26 26 110 5 5 111 8 8 112 1 1 113 5 5 114 4 4 115 124 124 116 25 25 117 49 49 118 12 12 119 55 55 120 9 9 121 24 24 122 5 5 123 12 12 124 2 2 125 4 4 126 2 2 127 10 10 128 18 18 129 34 34 130 15 15 131 86 86 132 14 14 133 25 25 134 7 7 135 45 45 136 9 9 137 12 12 138 2 2 139 1 1 141 2 2 142 1 1 143 7 7 144 6 6 145 50 50 146 11 11 147 83 83 148 16 16 149 91 91 150 15 15 151 39 39 152 6 6 153 2 2 155 1 1 157 2 2 158 2 2 159 42 42 160 8 8 161 52 52 162 31 31 163 40 40 164 8 8 165 292 292 166 46 46 167 14 14 168 2 2 169 1 1 171 3 3 172 1 1 173 19 19 174 10 10 175 50 50 176 13 13 177 512 512 178 84 84 179 26 26 180 3 3 181 1 1 185 3 3 186 1 1 187 7 7 188 2 2 189 83 83 190 22 22 191 11 11 192 3 3 193 2 2 194 1 1 195 1 1 196 1 1 197 1 1 199 1 1 200 1 1 201 3 3 202 2 2 203 31 31 204 16 16 205 389 389 206 79 79 207 23 23 208 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 6 6 218 7 7 219 14 14 220 286 286 221 70 70 222 19 19 223 3 3 231 2 2 232 7 7 233 999 999 234 187 187 235 56 56 236 7 7 237 1 1 238 1 1 239 1 1 240 1 1 241 1 1 242 1 1 243 1 1 247 6 6 248 828 828 249 164 164 250 47 47 251 5 5 252 1 1 //