MassBank Record: FIO00817



 Hypnophilin; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FIO00817
RECORD_TITLE: Hypnophilin; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
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_20eV_1-3_01_1723.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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV AC$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: splash10-0002-0930000000-8617042058c9f77d0704 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 107.086100 609.000000 113 109.101500 640.000000 118 111.044000 743.000000 137 119.085300 1766.000000 326 121.101400 1164.000000 215 131.085700 2172.000000 402 133.101200 761.000000 141 135.080500 467.000000 86 137.059600 1053.000000 195 143.086200 628.000000 116 145.101500 559.000000 103 147.080500 2618.000000 484 148.084300 357.000000 66 149.095600 1727.000000 319 157.100300 365.000000 67 159.080000 2341.000000 433 160.084200 405.000000 75 161.095900 614.000000 114 163.075000 1318.000000 244 165.090800 871.000000 161 173.096400 420.000000 78 175.074300 556.000000 103 175.148000 916.000000 169 177.090600 3002.000000 555 178.094500 405.000000 75 185.132100 1120.000000 207 189.127700 356.000000 66 191.107000 562.000000 104 203.142800 1131.000000 209 213.127200 961.000000 178 221.151900 347.000000 64 231.137400 1853.000000 343 249.148000 5404.000000 999 250.152300 1153.000000 213 //