MassBank Record: CB000450



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

ACCESSION: CB000450
RECORD_TITLE: Lapidin; 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
COMMENT: SubCategory_DNP: Sesquiterpenoids

CH$NAME: Lapidin CH$COMPOUND_CLASS: Terpenoids CH$FORMULA: C20H30O4 CH$EXACT_MASS: 334.4597 CH$SMILES: C/C=C(\C)C(=O)O[C@H]1CC(C)=CC(=O)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12 CH$IUPAC: InChI=1S/C20H30O4/c1-7-14(5)18(22)24-15-10-13(4)11-16(21)19(6)8-9-20(23,12(2)3)17(15)19/h7,11-12,15,17,23H,8-10H2,1-6H3/b14-7+/t15-,17+,19+,20+/m0/s1 CH$LINK: CAS 79863-24-4 CH$LINK: PUBCHEM CID:4944881 CH$LINK: INCHIKEY YMWBTMBPEHUMBA-FAKHFBMMSA-N
AC$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$SPLASH: splash10-0019-0890000000-23dfd5a920939ea40e14 PK$NUM_PEAK: 291 PK$PEAK: m/z int. rel.int. 104.5000 393643.5000 62 104.6000 479624.1250 76 104.7000 573323.0000 91 104.8000 701665.6250 111 104.9000 725359.4375 115 105.0000 634532.5625 101 105.1000 626096.0000 99 105.2000 532935.6250 84 105.3000 615146.5625 97 105.4000 526653.0625 83 105.5000 365641.5313 57 105.7000 145215.5156 22 106.6000 195475.5156 30 106.7000 286302.5313 45 106.8000 327408.0000 51 106.9000 284687.0000 44 107.0000 216118.0313 33 107.1000 180397.5313 28 107.3000 161729.5156 25 108.5000 224016.0156 35 108.6000 297611.0313 46 108.7000 650508.1875 103 108.8000 581221.0625 92 108.9000 528807.0625 84 109.0000 612274.4375 97 109.1000 585529.0625 93 109.2000 572964.0000 91 109.3000 526294.0625 83 109.4000 479444.5938 76 109.5000 264403.5313 41 118.0000 162627.0000 25 118.5000 260993.0156 41 118.6000 341947.5000 54 118.7000 367257.0000 58 118.8000 297970.0313 46 118.9000 1304785.8750 208 119.0000 489676.0000 77 119.1000 262249.5313 41 119.2000 254890.0000 40 119.3000 236401.5313 37 119.4000 175551.0156 27 119.5000 144318.0156 22 120.4000 285225.5000 44 120.5000 760541.5000 121 120.6000 1250756.1250 200 120.7000 1301913.6250 208 120.8000 1267629.1250 202 120.9000 1344993.6250 215 121.0000 1230293.1250 196 121.1000 1553033.8750 248 121.2000 1132824.5000 181 121.3000 1158313.6250 185 121.4000 910962.6250 145 121.5000 571528.0625 90 127.0000 181474.5156 28 127.1000 175012.5156 27 130.9000 152934.0000 23 131.0000 380181.0625 60 132.5000 153831.5156 23 132.6000 222580.0156 34 132.7000 251479.5469 39 132.8000 260813.5469 40 132.9000 234606.5625 36 133.0000 252377.0469 39 133.1000 317535.5313 50 133.2000 237478.5469 37 133.3000 195116.5156 30 133.4000 293662.0313 46 133.5000 140010.0156 21 134.5000 261352.0156 41 134.6000 300662.5313 47 134.7000 267814.0313 42 134.8000 371565.0625 58 134.9000 286123.0000 45 135.0000 284866.5313 44 135.1000 255608.0313 40 135.2000 284687.0000 44 135.3000 216656.5156 33 135.4000 202835.0000 31 136.8000 168730.0156 26 136.9000 154549.5156 23 137.2000 163165.5156 25 142.5000 445877.9688 70 142.6000 539936.0625 85 142.7000 534910.1250 85 142.8000 749951.0625 119 142.9000 672048.0625 107 143.0000 513190.5625 81 143.1000 510318.5625 81 143.2000 595221.9375 94 143.3000 383950.5313 60 143.4000 363128.5313 57 143.5000 220246.5156 34 144.5000 146472.0313 22 144.7000 229042.0000 35 144.8000 211989.5156 33 144.9000 226349.5000 35 145.0000 212169.0156 33 145.1000 209835.5156 32 145.2000 187218.5000 29 145.3000 160473.0156 24 145.4000 143061.5313 22 145.5000 139112.5000 21 145.6000 169986.5000 26 146.1000 150959.5313 23 146.4000 183269.5313 28 146.5000 278404.5000 43 146.6000 318971.5313 50 146.7000 388078.9688 61 146.8000 479444.5938 76 146.9000 493445.5313 78 147.0000 427389.5938 67 147.1000 358461.5000 56 147.2000 338178.0000 53 147.3000 1681915.1250 269 147.4000 194219.0156 30 154.6000 324356.5000 51 154.7000 165678.5156 25 154.8000 168909.5156 26 155.0000 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50 199.7000 293482.5000 46 199.8000 231016.5156 36 199.9000 237478.5469 37 200.0000 259018.5156 40 200.1000 229042.0000 35 200.2000 238017.0469 37 200.3000 238914.5469 37 200.4000 219169.5156 34 200.5000 141805.0156 21 216.4000 449288.5313 71 216.5000 1402074.6250 224 216.6000 2254699.7500 361 216.7000 3875405.5000 622 216.8000 3017036.5000 484 216.9000 2855665.7500 458 217.0000 2994958.0000 480 217.1000 2802354.0000 449 217.2000 2514256.7500 403 217.3000 2066045.2500 331 217.4000 2591083.0000 415 217.5000 2330628.5000 374 217.6000 861779.6250 137 217.7000 573682.0000 91 217.8000 630045.0000 100 217.9000 621070.0625 98 218.0000 567399.5000 90 218.1000 552500.9375 87 218.2000 603479.1250 96 218.3000 594683.6250 94 218.4000 576195.0000 91 218.5000 346614.6250 54 218.6000 160473.0156 24 234.4000 545141.5000 86 234.5000 2216107.0000 355 234.6000 4928352.5000 792 234.7000 5469185.5000 879 234.8000 4643306.0000 746 234.9000 6156851.0000 989 235.0000 5473493.5000 879 235.1000 5118264.0000 822 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