MassBank Record: RP020402



 C10-homoserine lactone; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: RP020402
RECORD_TITLE: C10-homoserine lactone; LC-ESI-QTOF; MS2; CE: 20; 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 AC$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$SPLASH: splash10-0uej-9400000000-10b2fa37bb44e02a78ec PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 59.048 358 2 73.0642 1450 8 74.023 11532 70 79.0537 882 5 81.0692 116514 713 83.0849 6458 39 84.044 7104 43 85.1006 147716 904 87.08 1138 6 93.07 262 1 95.0851 85276 522 96.0884 5352 32 97.101 1900 11 99.0805 606 3 100.0758 220 1 102.0547 163100 999 114.0547 378 2 137.132 2732 16 138.1359 344 2 140.07 296 1 155.1426 22184 135 228.1953 610 3 238.1798 15644 95 239.1829 1892 11 256.1909 1554 9 //