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MassBank Record: KO003485

Mannosamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: KO003485
RECORD_TITLE: Mannosamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M081

CH$NAME: Mannosamine
CH$NAME: D-Mannosamine
CH$NAME: 2-Amino-2-deoxy-D-mannose
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H13NO5
CH$EXACT_MASS: 179.07937
CH$SMILES: OCC(O1)C(O)C(O)C(N)C(O)1
CH$IUPAC: InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3+,4-,5-,6?/m1/s1
CH$LINK: CAS 14307-02-9
CH$LINK: CHEBI 27503
CH$LINK: KEGG C03570
CH$LINK: NIKKAJI J133.219H
CH$LINK: PUBCHEM SID:6362
CH$LINK: INCHIKEY MSWZFWKMSRAUBD-CBPJZXOFSA-N

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 180
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0002-9000000000-9c82e2783194f23f8e1e
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  41.100 79208.0 154
  44.300 74257.5 144
  45.000 514852.0 999
  46.000 133663.5 259
  55.100 34653.5 67
  57.100 94059.5 183
  69.800 49505.0 96
  71.900 64356.5 125
  78.200 34653.5 67
  80.300 188119.0 365
  90.900 44554.5 86
  94.500 34653.5 67
//

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