ACCESSION: MSBNK-RIKEN-PR100779
RECORD_TITLE: L-(+)-Rhamnose; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
DATE: 2016.01.19 (Created 2009.09.10, modified 2011.05.06)
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: L-(+)-Rhamnose
CH$NAME: Rha
CH$NAME: dMan
CH$NAME: 6-Deoxy-L-mannose
CH$NAME: L(+)Rhamnopyranose
CH$NAME: Isodulcitol
CH$NAME: Mannomethylose
CH$NAME: Locaose
CH$COMPOUND_CLASS: Monosaccharide
CH$FORMULA: C₆H₁₂O₅
CH$EXACT_MASS: 164.06847
CH$SMILES: C[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)C(O)1
CH$IUPAC: InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6?/m0/s1
CH$LINK: CAS 3615-41-6
CH$LINK: CHEMSPIDER 23642
CH$LINK: KEGG C00507
CH$LINK: KNAPSACK C00001129
CH$LINK: PUBCHEM CID:25310
CH$LINK: INCHIKEY SHZGCJCMOBCMKK-JFNONXLTSA-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$MASS_SPECTROMETRY: DATE 2008.07.28
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 420 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE LOW-ENERGY CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: SCANNING 1.0 sec/scan (m/z = 50-1000)
AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C
AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V
AC$CHROMATOGRAPHY: SOLVENT A CH3CN(0.1%HCOOH)
AC$CHROMATOGRAPHY: SOLVENT B H2O(0.1%HCOOH)

MS$FOCUSED_ION: PRECURSOR_M/Z 163.06067
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-03di-0900000000-2196b54a850c456b7ee8
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  145.8914 74.72 438
  162.8945 170.4 999
  163.0607 10.1 59
//