MassBank Record: CB000308



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

ACCESSION: CB000308
RECORD_TITLE: osajin; 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, Pyrans

CH$NAME: osajin CH$COMPOUND_CLASS: Flavonoids CH$FORMULA: C25H24O5 CH$EXACT_MASS: 404.46703 CH$SMILES: CC(C)=CCc1c2c(c3occ(-c4ccc(O)cc4)c(=O)c3c1O)C=CC(C)(C)O2 CH$IUPAC: InChI=1S/C25H24O5/c1-14(2)5-10-17-21(27)20-22(28)19(15-6-8-16(26)9-7-15)13-29-24(20)18-11-12-25(3,4)30-23(17)18/h5-9,11-13,26-27H,10H2,1-4H3 CH$LINK: CAS 482-53-1 CH$LINK: PUBCHEM CID:85874 CH$LINK: INCHIKEY DCTLJGWMHPGCOS-UHFFFAOYSA-N
AC$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$SPLASH: splash10-0002-0009500000-afee095e7bf8732c4f1c PK$NUM_PEAK: 75 PK$PEAK: m/z int. rel.int. 120.8000 57870.8008 22 212.9000 72105.1563 28 213.1000 71871.8047 27 213.2000 115274.8984 45 330.5000 94740.1016 37 330.6000 116675.0000 46 330.7000 108157.7344 42 330.8000 71988.4844 28 330.9000 162294.9063 64 331.0000 156227.8281 61 331.1000 79572.3516 31 331.2000 100223.8125 39 331.6000 68371.5469 26 348.2000 109324.4766 43 348.3000 622111.0625 249 348.4000 1036657.2500 416 348.5000 2000509.5000 805 348.6000 2219391.5000 893 348.7000 2245293.7500 903 348.8000 2363135.5000 951 348.9000 2394871.0000 963 349.0000 2481910.5000 999 349.1000 2044728.8750 822 349.2000 1861433.0000 749 349.3000 1984525.2500 798 349.4000 1318544.0000 530 349.5000 660263.7500 265 349.6000 727702.0625 292 349.7000 646029.4375 259 349.8000 531571.3125 213 349.9000 538338.5000 215 350.0000 562373.4375 225 350.1000 442781.6250 177 350.2000 455849.2813 182 350.3000 471717.0938 189 350.4000 259718.5313 103 350.5000 120525.2734 47 350.6000 106524.2734 41 350.7000 129042.5547 50 350.8000 163228.3281 64 350.9000 99640.4531 39 351.0000 92873.3047 36 351.1000 115041.5547 45 351.2000 101623.9141 39 351.3000 59387.5742 22 404.2000 117258.3828 46 404.3000 693399.5000 278 404.4000 702266.8750 281 404.5000 958835.1250 385 404.6000 1040507.5625 418 404.7000 1075510.1250 432 404.8000 1245038.8750 500 404.9000 1256473.2500 505 405.0000 1152865.6250 463 405.1000 1281441.5000 515 405.2000 1073526.6250 431 405.3000 973302.7500 391 405.4000 938183.8125 377 405.5000 411396.0313 164 405.6000 471133.7188 188 405.7000 417463.1250 167 405.8000 353758.5938 141 405.9000 356558.8125 142 406.0000 302771.6250 120 406.1000 429714.0000 172 406.2000 318056.0313 127 406.3000 292387.5938 116 406.4000 282470.2188 112 406.5000 96023.5234 37 406.6000 210365.0156 83 406.7000 134292.9219 53 406.8000 92173.2578 36 406.9000 77005.4922 30 407.2000 79572.3516 31 407.3000 121692.0313 48 //