MassBank Record: FIO00816



 Hypnophilin; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FIO00816
RECORD_TITLE: Hypnophilin; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
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_10eV_1-3_01_1714.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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 eV AC$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: splash10-0002-0290000000-845d0bf3985aacfff372 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 119.085700 369.000000 10 121.100900 397.000000 11 131.085300 372.000000 10 137.059500 412.000000 11 147.080800 2029.000000 56 149.096600 992.000000 27 151.112000 495.000000 14 159.080800 1872.000000 52 161.096400 1137.000000 31 163.075800 483.000000 13 165.091000 1063.000000 29 173.096400 696.000000 19 175.075700 705.000000 19 175.148000 753.000000 21 177.090900 6135.000000 169 178.094600 764.000000 21 185.132800 1295.000000 36 189.127900 517.000000 14 191.106000 1020.000000 28 203.142900 4196.000000 116 204.145500 619.000000 17 207.137800 572.000000 16 213.127600 2521.000000 70 221.153600 3772.000000 104 222.157400 647.000000 18 231.137800 11340.000000 313 232.141000 1660.000000 46 233.152200 369.000000 10 249.148500 36225.000000 999 250.152100 6232.000000 172 251.157400 820.000000 23 //