MassBank Record: RP021601



 3-hydroxy-C10-homoserine lactone; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: RP021601
RECORD_TITLE: 3-hydroxy-C10-homoserine lactone; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
DATE: 2017.10.25
AUTHORS: BGC, Helmholtz Zentrum Muenchen
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2017
COMMENT: CONFIDENCE Standard Compound
COMMENT: INTERNAL_ID 216

CH$NAME: 3-hydroxy-C10-homoserine lactone CH$NAME: 3-hydroxy-N-(2-oxooxolan-3-yl)decanamide CH$COMPOUND_CLASS: N/A; Metabolomics Standard CH$FORMULA: C14H25NO4 CH$EXACT_MASS: 271.17836 CH$SMILES: CCCCCCCC(O)CC(=O)NC1CCOC1=O CH$IUPAC: InChI=1S/C14H25NO4/c1-2-3-4-5-6-7-11(16)10-13(17)15-12-8-9-19-14(12)18/h11-12,16H,2-10H2,1H3,(H,15,17) CH$LINK: CAS 192883-12-8 CH$LINK: PUBCHEM CID:11521893 CH$LINK: INCHIKEY DOICJCCMIBBSOO-UHFFFAOYSA-N CH$LINK: CHEMSPIDER 9696680
AC$INSTRUMENT: maXis plus UHR-ToF-MS, Bruker Daltonics AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 AC$CHROMATOGRAPHY: COLUMN_NAME BEH C18 1.7um, 2.1x100mm, Waters AC$CHROMATOGRAPHY: FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1.12 min, 0.5/99.5 at 6.41 min, 0.5/99.5 at 10.01 min AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min AC$CHROMATOGRAPHY: RETENTION_TIME 4.384 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 272.1848 MS$FOCUSED_ION: PRECURSOR_M/Z 272.1856 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included MS$DATA_PROCESSING: WHOLE RMassBank 2.4.0
PK$SPLASH: splash10-0udi-0950000000-48147591e3daeb17f9e2 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 69.0694 3404 7 74.023 4978 10 74.0593 16312 35 81.0699 524 1 83.0853 1286 2 84.0439 3880 8 85.0278 742 1 93.069 540 1 95.0849 618 1 97.0644 1306 2 102.0545 455592 999 107.0863 560 1 135.1161 1718 3 153.1267 6950 15 154.13 640 1 214.1807 480 1 226.1792 1502 3 236.1637 1018 2 244.1904 670 1 254.1744 77374 169 255.1777 10284 22 256.1806 608 1 272.1849 173340 380 274.1908 2408 5 //