MassBank Record: CB000330



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

ACCESSION: CB000330
RECORD_TITLE: 1-Hydroxy-2-methoxyanthraquinone; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Plant, Organic chemicals, Polycyclic compounds, Anthracenes

CH$NAME: 1-Hydroxy-2-methoxyanthraquinone CH$COMPOUND_CLASS: Polycyclic aromatic natural products CH$FORMULA: C15H10O4 CH$EXACT_MASS: 254.24455000000003 CH$SMILES: COc1ccc2c(c1O)C(=O)c1ccccc1C2=O CH$IUPAC: InChI=1S/C15H10O4/c1-19-11-7-6-10-12(15(11)18)14(17)9-5-3-2-4-8(9)13(10)16/h2-7,18H,1H3 CH$LINK: CAS 6003-11-8 CH$LINK: PUBCHEM CID:72353 CH$LINK: INCHIKEY BYQWRZGQEZAOPQ-UHFFFAOYSA-N
AC$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$SPLASH: splash10-0zfr-0890000000-60e2bb6a6f9373e0b872 PK$NUM_PEAK: 200 PK$PEAK: m/z int. rel.int. 100.0000 16535.6738 75 100.1000 50773.6953 234 100.2000 7121.1646 32 101.9000 10701.9072 48 102.0000 14363.0859 65 102.1000 21162.4238 97 102.2000 43089.2773 198 102.3000 44215.8008 204 102.4000 23536.1680 108 102.5000 19392.1895 89 104.9000 5310.7241 23 106.7000 7161.4302 32 110.5000 14282.6299 65 110.6000 5350.9565 23 110.9000 6356.7778 28 111.0000 17823.1113 81 111.3000 5511.8887 24 113.5000 4868.1577 21 113.7000 9374.2256 42 114.2000 4908.3857 21 116.7000 7443.0601 33 117.2000 13196.3457 60 117.7000 6397.0088 28 117.8000 15288.4453 69 117.9000 7845.3872 35 118.0000 10098.4229 45 118.1000 9173.0684 41 118.2000 6718.8721 30 118.6000 19150.7930 87 118.7000 95230.9141 441 118.8000 109191.7031 505 118.9000 131722.0156 610 119.0000 106616.7891 493 119.1000 83764.5938 387 119.2000 98690.9453 457 119.3000 60349.1289 279 119.4000 24582.2070 113 119.5000 7724.6904 34 119.6000 6718.8696 30 119.8000 8931.6729 40 120.6000 7282.1309 32 120.9000 5149.7939 22 121.5000 5149.7930 22 123.1000 6397.0088 28 125.4000 7040.7324 31 126.6000 4988.8623 22 127.3000 7000.4995 31 127.4000 5592.3535 24 128.5000 6316.5439 28 128.6000 35042.7344 161 128.7000 5149.7920 22 128.8000 12995.1816 59 128.9000 12150.2930 55 129.0000 30858.5254 142 129.1000 21162.4297 97 129.2000 5350.9561 23 129.3000 9173.0684 41 130.5000 12713.5518 58 135.1000 5552.1045 24 135.2000 58860.5156 272 135.3000 14121.6934 64 141.8000 75355.9531 348 141.9000 99616.3047 461 142.0000 114100.1094 528 142.1000 125244.5469 580 142.2000 101507.2188 470 142.3000 107260.4922 496 142.4000 71574.0469 331 142.5000 11788.1797 53 142.6000 14161.9307 64 144.5000 5069.3271 22 148.4000 18386.3535 84 148.6000 21564.7266 99 148.9000 31220.5801 143 149.1000 36048.5508 166 149.6000 10098.4229 45 149.8000 7644.2266 34 150.2000 6517.7085 29 150.4000 4988.8623 22 150.5000 7201.6626 32 157.6000 5431.4224 24 167.0000 4747.4609 21 167.2000 8086.7847 36 177.2000 7845.3882 35 180.4000 5310.7241 23 180.6000 10460.5146 47 181.0000 7805.1553 35 181.3000 7563.7583 34 183.0000 5310.7241 23 186.8000 8086.7832 36 189.0000 5149.7930 22 194.9000 6920.0356 31 195.1000 6799.3364 30 195.2000 4827.9307 21 196.1000 6557.9409 29 197.9000 17943.8008 82 198.9000 6115.3828 27 208.7000 8408.6455 38 208.9000 7241.8955 32 209.0000 7684.4556 34 209.2000 5230.2583 23 210.3000 7322.3613 32 211.4000 5431.4224 24 211.5000 5672.8188 25 211.6000 8368.4141 37 211.8000 8730.5098 39 212.2000 4988.8618 22 212.3000 5230.2583 23 215.4000 6115.3789 27 215.6000 4868.1626 21 216.8000 7000.5005 31 216.9000 9173.0664 41 217.1000 4948.6299 21 217.2000 8489.1133 38 217.3000 8247.7148 37 217.4000 6397.0093 28 217.5000 10178.8867 46 218.0000 7201.6641 32 220.3000 5109.5596 22 220.8000 8127.0073 36 220.9000 7603.9834 34 222.0000 7322.3618 32 222.4000 6879.8022 30 224.5000 4868.1641 21 225.4000 5632.5850 25 225.5000 4948.6289 21 226.4000 4827.9307 21 238.6000 9575.3965 43 238.7000 12874.4814 58 238.9000 10380.0498 47 239.0000 10420.2861 47 239.3000 23777.5625 109 239.4000 12472.1553 56 239.5000 15771.2393 72 239.6000 11144.4746 50 239.7000 12230.7598 55 239.8000 21484.2910 98 239.9000 19995.6758 91 240.0000 18547.2988 85 240.1000 18225.4375 83 240.2000 8971.9053 40 240.3000 12794.0176 58 240.4000 21444.0586 98 240.6000 5954.4482 26 254.1000 6638.4053 29 254.3000 32628.7656 150 254.4000 112732.1797 522 254.5000 164350.7969 761 254.6000 171391.5469 794 254.7000 188047.9063 871 254.8000 215446.4219 999 254.9000 166161.2656 770 255.0000 150390.0313 697 255.1000 146286.2969 677 255.2000 168454.5469 780 255.3000 132727.8594 615 255.4000 119491.2813 553 255.5000 52664.6758 243 255.6000 38180.8867 176 255.7000 37054.3711 170 255.8000 26674.3164 122 255.9000 23978.7246 110 256.0000 30053.8711 138 256.1000 29249.2129 134 256.2000 29691.7734 136 256.3000 20840.5664 95 256.4000 19794.5156 90 256.5000 7322.3613 32 256.6000 5552.1206 24 256.7000 7080.9653 31 257.1000 6598.1719 29 257.3000 5069.3276 22 261.4000 5672.8184 25 278.6000 5350.9575 23 278.8000 7362.5933 33 279.1000 8247.7148 37 284.8000 5350.9570 23 294.6000 8328.1807 37 294.9000 6115.3789 27 295.2000 6598.1719 29 295.3000 5672.8184 25 295.8000 4827.9307 21 296.9000 5069.3271 22 310.5000 5632.5835 25 311.0000 6678.6382 29 327.1000 10983.5430 49 330.7000 4747.4644 21 349.5000 6759.1035 30 368.8000 5793.5161 25 371.2000 5431.4219 24 390.5000 7161.4316 32 390.8000 10138.6553 46 390.9000 36692.2734 169 391.0000 34881.8008 160 391.2000 6155.6118 27 432.4000 6477.4746 29 434.1000 5511.8872 24 532.8000 5592.3525 24 533.0000 6397.0088 28 533.6000 5592.3525 24 //