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MassBank Record: MSBNK-RIKEN_ReSpect-PT207900

Rha, Mannomethylose, (3R,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol, 6-Deoxy-L-mannose, Locaose , Isodulcitol, L(+)Rhamnopyranose, L-(+)-Rhamnose Monohydrate, dMan; LC-ESI-QTOF; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-RIKEN_ReSpect-PT207900
RECORD_TITLE: Rha, Mannomethylose, (3R,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol, 6-Deoxy-L-mannose, Locaose , Isodulcitol, L(+)Rhamnopyranose, L-(+)-Rhamnose Monohydrate, dMan; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Rha
CH$NAME: Mannomethylose
CH$NAME: (3R,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol
CH$NAME: 6-Deoxy-L-mannose
CH$NAME: Locaose
CH$NAME: Isodulcitol
CH$NAME: L(+)Rhamnopyranose
CH$NAME: L-(+)-Rhamnose Monohydrate
CH$NAME: dMan
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Sugar CLASS3 Monosaccharide
CH$FORMULA: C6H12O5
CH$EXACT_MASS: 164.157
CH$SMILES: CC1C(C(C(C(O1)O)O)O)O
CH$IUPAC: InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3
CH$LINK: CAS 3615-41-6
CH$LINK: INCHIKEY SHZGCJCMOBCMKK-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

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

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
//

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