MassBank Record: FIO00819



 Hypnophilin; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FIO00819
RECORD_TITLE: Hypnophilin; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
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_40eV_1-3_01_1725.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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV AC$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: splash10-014i-1900000000-9d1cf1bd549cf8703a29 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 91.054100 1118.000000 498 93.070000 600.000000 267 105.069300 650.000000 289 107.084200 428.000000 191 115.054800 1142.000000 508 116.061100 792.000000 353 117.069800 1414.000000 629 119.086000 2244.000000 999 121.101200 594.000000 264 129.069900 1106.000000 492 131.085500 1144.000000 509 135.080500 584.000000 260 137.059500 510.000000 227 147.079800 624.000000 278 155.085500 558.000000 248 159.081200 552.000000 246 161.059800 484.000000 215 163.075000 644.000000 287 //