MassBank Record: PR100710



 UDP-beta-L-rhamnose; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR100710
RECORD_TITLE: UDP-beta-L-rhamnose; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
DATE: 2016.01.19 (2010.06.21, 2011.05.06)
AUTHORS: Matsuda FPlant Science Center, RIKEN., Suzuki MPlant Science Center, RIKEN., Sawada YPlant Science Center, RIKEN., Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: UDP-beta-L-rhamnose CH$NAME: UDP-Rha CH$COMPOUND_CLASS: Natural Product; Nucleoside; Phosphates CH$FORMULA: C15H24N2O16P2 CH$EXACT_MASS: 550.06011 CH$SMILES: O=C(C=3)NC(=O)N(C3)C(O1)C(O)C(O)C(COP(O)(=O)OP(O)(=O)OC(O2)C(O)C(O)C(O)C(C)2)1 CH$IUPAC: InChI=1S/C15H24N2O16P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)17-3-2-7(18)16-15(17)24/h2-3,5-6,8-14,19-23H,4H2,1H3,(H,25,26)(H,27,28)(H,16,18,24)/t5-,6+,8-,9+,10+,11+,12+,13+,14+/m0/s1 CH$LINK: CAS 1955-26-6 CH$LINK: CHEMSPIDER 167268 CH$LINK: KEGG C02199 CH$LINK: PUBCHEM CID:23724469 CH$LINK: INCHIKEY DRDCJEIZVLVWNC-SLBWPEPYSA-N
AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V AC$MASS_SPECTROMETRY: DATAFORMAT Continuum AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V AC$CHROMATOGRAPHY: SOLVENT CH3CN(0.1%HCOOH)/ H2O(0.1%HCOOH)
MS$FOCUSED_ION: PRECURSOR_M/Z 549.0523 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-052b-5614390000-8207db0554e68840adca PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 78.9601 250.4 504 96.9700 71.26 143 111.0200 99.27 200 158.9256 248.2 499 174.9791 15.19 31 176.9365 17.18 35 211.0000 14.51 29 225.0176 12.57 25 272.9575 82.38 166 305.0035 51.78 104 323.0289 101.2 204 384.9846 92.21 185 402.9948 166.7 335 549.0523 496.8 999 //