MassBank Record: CB000304



 2'-Hydroxy-2,4,4'-trimethoxychalcone; LC-ESI-QQQ; MS; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: CB000304
RECORD_TITLE: 2'-Hydroxy-2,4,4'-trimethoxychalcone; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Animal, Pyrans

CH$NAME: 2'-Hydroxy-2,4,4'-trimethoxychalcone CH$COMPOUND_CLASS: Flavonoids CH$FORMULA: C18H18O5 CH$EXACT_MASS: 314.34116 CH$SMILES: COc1ccc(C(=O)/C=C/c2ccc(OC)cc2OC)c(O)c1 CH$IUPAC: InChI=1S/C18H18O5/c1-21-13-7-8-15(17(20)10-13)16(19)9-5-12-4-6-14(22-2)11-18(12)23-3/h4-11,20H,1-3H3/b9-5+ CH$LINK: PUBCHEM CID:4741363 CH$LINK: INCHIKEY ZTIPWOFLPVWZDX-WEVVVXLNSA-N
AC$INSTRUMENT: ABSciex API3200 LC/MS system AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-0914000000-d4ef1bc89eef021e43b9 PK$NUM_PEAK: 160 PK$PEAK: m/z int. rel.int. 132.7000 121175.3047 21 134.5000 135009.6250 24 134.7000 153177.5938 27 134.8000 138676.5781 24 134.9000 201847.7656 36 135.1000 125508.9688 22 135.2000 160344.7656 28 135.3000 118675.1328 21 136.5000 162844.9688 29 136.6000 232016.5625 42 136.7000 235683.4844 42 136.8000 238350.3594 43 136.9000 252851.4219 45 137.0000 301021.5000 54 137.1000 260351.9219 47 137.2000 218515.6094 39 137.3000 240683.8594 43 137.4000 135342.9844 24 147.4000 204014.5938 36 147.5000 392528.0313 71 147.6000 385527.5313 70 147.7000 412362.7813 75 147.8000 480700.9688 88 147.9000 582541.6250 107 148.0000 420029.9688 76 148.1000 370526.4375 67 148.2000 404028.8125 74 148.3000 261185.3438 47 148.4000 258185.1094 46 148.5000 178179.4063 32 150.3000 402195.3750 73 150.4000 1584280.0000 293 150.5000 2439841.2500 452 150.6000 2993380.7500 554 150.7000 3294401.5000 610 150.8000 3250732.2500 602 150.9000 3244398.7500 601 151.0000 3490582.0000 647 151.1000 3328071.2500 616 151.2000 3097721.2500 574 151.3000 2488844.2500 461 151.4000 1770626.5000 327 151.5000 943567.1875 174 151.6000 407862.4688 74 151.7000 377693.6563 69 151.8000 337690.7813 61 151.9000 380360.5000 69 152.0000 289187.3125 52 152.1000 393194.7500 72 152.2000 316855.9375 57 152.3000 233516.6563 42 152.4000 171178.8750 30 164.8000 128675.8516 22 165.0000 136676.4219 24 175.4000 407029.0313 74 175.5000 636878.8125 117 175.6000 1230421.3750 227 175.7000 3169893.0000 587 175.8000 362859.2188 66 175.9000 229516.3438 41 176.0000 404528.9063 74 176.1000 327023.3125 59 176.2000 452198.9688 82 176.3000 292354.2500 53 176.4000 328023.4063 59 176.5000 125175.6094 22 176.6000 209181.6094 37 176.7000 165011.7813 29 176.8000 159678.0781 28 176.9000 167178.5938 30 177.0000 165178.4688 29 177.2000 147510.5156 26 177.3000 162011.5625 29 190.3000 126675.7109 22 190.4000 1958973.1250 362 190.5000 2939043.5000 544 190.6000 4284640.0000 794 190.7000 4776008.0000 885 190.8000 4346143.5000 806 190.9000 4197466.5000 778 191.0000 4080125.0000 756 191.1000 3433912.2500 636 191.2000 3583256.2500 664 191.3000 3124223.2500 579 191.4000 2830368.7500 524 191.5000 1046574.6875 193 191.6000 608376.8125 111 191.7000 624877.9375 115 191.8000 623544.5625 114 191.9000 636545.3750 117 192.0000 601376.3125 110 192.1000 623377.8125 114 192.2000 469533.4688 86 192.3000 422863.4688 77 192.4000 380860.5625 69 192.5000 166011.8438 29 212.6000 159511.3906 28 212.7000 256018.2969 46 212.8000 228516.3125 41 212.9000 290187.4063 52 213.0000 187346.7031 33 213.1000 270352.6875 49 213.2000 201014.3594 36 213.3000 165511.8125 29 213.4000 179179.4375 32 240.4000 158344.6250 28 240.5000 220349.0938 39 240.6000 248517.7188 45 240.7000 262352.0625 47 240.8000 213015.2188 38 240.9000 290354.0313 52 241.0000 288687.2500 52 241.1000 282186.8125 51 241.2000 179179.4375 32 241.3000 218682.2969 39 241.4000 135509.6563 24 272.4000 208014.8594 37 272.5000 542872.1250 99 272.6000 595542.5625 109 272.7000 740052.8750 136 272.8000 665547.5000 122 272.9000 741719.6250 136 273.0000 613377.1250 112 273.1000 725885.1250 133 273.2000 600042.8750 110 273.3000 687215.7500 126 273.4000 462199.6875 84 273.5000 169512.0938 30 273.6000 137843.1563 24 274.2000 138509.8906 24 314.3000 170512.1563 30 314.4000 1220087.1250 225 314.5000 2623354.0000 486 314.6000 3389909.0000 628 314.7000 3052217.7500 565 314.8000 3597590.0000 667 314.9000 3768935.7500 698 315.0000 3423411.5000 634 315.1000 5385384.0000 999 315.2000 3234730.5000 599 315.3000 3583922.7500 664 315.4000 2355334.7500 436 315.5000 1094578.2500 202 315.6000 1134414.5000 209 315.7000 796390.1875 146 315.8000 858728.0625 158 315.9000 846060.3750 156 316.0000 852060.8125 157 316.1000 739219.4375 136 316.2000 780389.0000 143 316.3000 679881.8125 125 316.4000 532371.3750 97 316.5000 275519.6875 50 316.6000 194013.8594 35 316.7000 138176.5156 24 316.8000 166345.2031 29 316.9000 166178.5313 29 317.1000 159678.0781 28 317.2000 124675.5469 22 317.3000 131842.7344 23 //