MassBank Record: PR010104



 4-Methylumbelliferone; GC-EI-TOF; MS; 1 TMS; BP:233 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010104
RECORD_TITLE: 4-Methylumbelliferone; GC-EI-TOF; MS; 1 TMS; 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 2016 AC$CHROMATOGRAPHY: RETENTION_TIME 484.444 sec
MS$FOCUSED_ION: BASE_PEAK 233 MS$FOCUSED_ION: DERIVATIVE_FORM C13H16O3Si MS$FOCUSED_ION: DERIVATIVE_MASS 248.08687 MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0fna-9870000000-4e4875af7ba45d8e6b44 PK$NUM_PEAK: 174 PK$PEAK: m/z int. rel.int. 60 18 18 61 64 64 62 79 79 63 184 184 64 39 39 65 184 184 66 31 31 67 111 111 68 2 2 69 43 43 70 16 16 71 23 23 72 26 26 73 924 924 74 150 150 75 260 260 76 110 110 77 434 434 78 61 61 79 99 99 80 12 12 81 19 19 82 9 9 83 44 44 84 7 7 85 37 37 86 20 20 87 122 122 88 147 147 89 85 85 90 29 29 91 206 206 92 24 24 93 39 39 94 22 22 95 60 60 96 8 8 97 12 12 98 10 10 99 60 60 100 9 9 101 40 40 102 595 595 103 314 314 104 29 29 105 46 46 106 8 8 107 21 21 108 4 4 109 26 26 110 5 5 111 8 8 112 1 1 113 4 4 114 4 4 115 125 125 116 25 25 117 48 48 118 13 13 119 54 54 120 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 15 15 131 88 88 132 13 13 133 25 25 134 7 7 135 44 44 136 9 9 137 13 13 138 2 2 139 1 1 141 2 2 143 8 8 144 6 6 145 50 50 146 12 12 147 86 86 148 17 17 149 94 94 150 16 16 151 41 41 152 6 6 153 2 2 155 1 1 157 3 3 158 2 2 159 42 42 160 8 8 161 53 53 162 32 32 163 40 40 164 8 8 165 292 292 166 46 46 167 15 15 168 2 2 169 1 1 170 1 1 171 3 3 172 1 1 173 20 20 174 9 9 175 49 49 176 14 14 177 518 518 178 86 86 179 27 27 180 4 4 181 1 1 185 3 3 186 1 1 187 6 6 188 2 2 189 83 83 190 22 22 191 11 11 192 3 3 193 1 1 194 1 1 195 1 1 196 1 1 197 1 1 198 1 1 199 1 1 201 2 2 202 2 2 203 31 31 204 15 15 205 390 390 206 80 80 207 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 6 6 219 14 14 220 283 283 221 69 69 222 19 19 223 3 3 231 2 2 232 7 7 233 999 999 234 187 187 235 57 57 236 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 6 248 837 837 249 164 164 250 47 47 251 5 5 //