MassBank Record: RP023411



 L-Rhamnose; 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: RP023411
RECORD_TITLE: L-Rhamnose; LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
DATE: 2017.11.29
AUTHORS: BGC, Helmholtz Zentrum Muenchen
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2017
COMMENT: CONFIDENCE Standard Compound
COMMENT: INTERNAL_ID 234

CH$NAME: L-Rhamnose CH$NAME: 3615-41-6 CH$NAME: (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal CH$COMPOUND_CLASS: N/A; Metabolomics Standard CH$FORMULA: C6H12O5 CH$EXACT_MASS: 164.0685 CH$SMILES: O=C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C CH$IUPAC: InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4-,5-,6-/m0/s1 CH$LINK: CAS 73-34-7 CH$LINK: CHEBI 16055 CH$LINK: PUBCHEM CID:19233 CH$LINK: INCHIKEY PNNNRSAQSRJVSB-BXKVDMCESA-N CH$LINK: CHEMSPIDER 18150
AC$INSTRUMENT: maXis plus UHR-ToF-MS, Bruker Daltonics AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$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 0.604 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 163.0617 MS$FOCUSED_ION: PRECURSOR_M/Z 163.0612 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: splash10-0a4i-9300000000-aba9c0e75315919d15ca PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 59.0138 134 999 146.0325 52 387 //