ACCESSION: MSBNK-RIKEN-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$LINK: PUBCHEM 5979
CH$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$CHROMATOGRAPHY: RETENTION_INDEX 2018.8
AC$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
//