MassBank Record: RP020403



 C10-homoserine lactone; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: RP020403
RECORD_TITLE: C10-homoserine lactone; LC-ESI-QTOF; MS2; CE: 40; 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 204

CH$NAME: C10-homoserine lactone CH$NAME: N-Decanoyl-DL-homoserine lactone CH$NAME: N-(2-oxooxolan-3-yl)decanamide CH$COMPOUND_CLASS: N/A; Metabolomics Standard CH$FORMULA: C14H25NO3 CH$EXACT_MASS: 255.18344 CH$SMILES: CCCCCCCCCC(=O)NC1CCOC1=O CH$IUPAC: InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,1H3,(H,15,16) CH$LINK: CAS 106983-36-2 CH$LINK: PUBCHEM CID:11644562 CH$LINK: INCHIKEY TZWZKDULKILUPV-UHFFFAOYSA-N CH$LINK: CHEMSPIDER 9819301
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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 AC$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$CHROMATOGRAPHY: RETENTION_TIME 5.113 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 256.1903 MS$FOCUSED_ION: PRECURSOR_M/Z 256.1907 MS$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$SPLASH: splash10-00di-9000000000-b602842d43050bcab1e1 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 49.0631 68 1 58.0409 92 1 59.0481 242 3 61.0516 64 1 66.0457 126 2 67.0536 32516 533 70.0645 152 2 71.0848 60864 999 73.0633 128 2 74.023 36236 594 74.0593 59462 975 75.0553 146 2 76.0624 90 1 78.0465 156 2 79.0539 4754 78 80.0577 274 4 81.0694 31414 515 82.0659 200 3 82.073 1956 32 83.0724 68 1 83.0854 1104 18 84.0438 11520 189 85.0279 6804 111 85.0642 656 10 85.1006 11018 180 91.0551 94 1 93.0698 1188 19 94.074 198 3 95.0851 17656 289 97.1015 182 2 100.0748 80 1 102.0548 10862 178 110.0943 80 1 154.1581 82 1 155.142 946 15 //