MassBank Record: FIO00818



 Hypnophilin; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FIO00818
RECORD_TITLE: Hypnophilin; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
DATE: 2019.01.14
AUTHORS: , Markus Kohlhoff, Natural Product Chemistry Lab (FIOCRUZ Minas, Brazil)
LICENSE: CC BY
COPYRIGHT: (c) Institute Rene Rachou (FIOCRUZ Minas, Brazil)
COMMENT: [Raw Data] CBA38_Hypnophilin_pos_30eV_1-3_01_1724.txt

CH$NAME: Hypnophilin CH$COMPOUND_CLASS: Natural Product; Terpenoids CH$FORMULA: C15H20O3 CH$EXACT_MASS: 248.141244 CH$SMILES: C=C2C(=O)[C@H]4O[C@]43C[C@H]1CC(C)(C)[C@H](O)[C@H]1[C@]23C CH$IUPAC: InChI=1S/C15H20O3/c1-7-10(16)12-15(18-12)6-8-5-13(2,3)11(17)9(8)14(7,15)4/h8-9,11-12,17H,1,5-6H2,2-4H3/t8-,9+,11-,12-,14+,15-/m1/s1 CH$LINK: INCHIKEY FBSAMOXBBLSEEW-ZYHYCFKLSA-N
AC$INSTRUMENT: maXis, Bruker Daltonics AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 4500 V AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV AC$MASS_SPECTROMETRY: COLLISION_GAS Nitrogen AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 8 l/min AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD CID AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: NEBULIZER 3.0 bar AC$CHROMATOGRAPHY: COLUMN_NAME Shimadzu Shim-Pack XR-ODS III; C18; 2.2um; 80A; 2.0x150mm AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C AC$CHROMATOGRAPHY: FLOW_GRADIENT 5-100%B in 10min AC$CHROMATOGRAPHY: FLOW_RATE 400ul/min AC$CHROMATOGRAPHY: SOLVENT 0.1% formic acid in water (A) and Acetonitrile (B)
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: FIND_PEAK local MS$DATA_PROCESSING: WHOLE Mass++ 2.7.4
PK$SPLASH: splash10-07eb-0900000000-61f8bb95191c4da292d5 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 91.054600 564.000000 205 93.070100 684.000000 249 95.086500 479.000000 174 105.069900 763.000000 278 107.086100 737.000000 268 109.101500 529.000000 193 111.044100 572.000000 208 115.054400 297.000000 108 116.062500 712.000000 259 117.068600 719.000000 262 119.085600 2744.000000 999 121.100500 1001.000000 364 123.044300 289.000000 105 125.059400 275.000000 100 129.070000 1019.000000 371 131.085500 2719.000000 990 132.089300 459.000000 167 133.101400 851.000000 310 135.080000 553.000000 201 137.059500 1212.000000 441 143.084600 653.000000 238 145.101200 575.000000 209 147.080500 1892.000000 689 148.084700 351.000000 128 149.095900 935.000000 340 151.075300 263.000000 96 156.094000 321.000000 117 157.100600 532.000000 194 159.080200 1495.000000 544 161.096100 528.000000 192 163.075200 1836.000000 668 165.091600 487.000000 177 170.109400 728.000000 265 175.074400 488.000000 178 175.148500 281.000000 102 177.090600 1249.000000 455 185.131500 559.000000 204 191.106200 349.000000 127 231.136600 324.000000 118 249.148600 740.000000 269 //