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MassBank Record: KO003486

Mannosamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO003486
RECORD_TITLE: Mannosamine; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-0006-9000000000-2baa32d6b327f7480ecb
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  41.100 178218.0 122
  43.400 163366.5 111
  43.700 123762.5 84
  44.900 1465348.0 999
  46.000 594060.0 405
  55.200 173267.5 118
  56.100 89109.0 61
  57.200 509901.5 348
  59.100 79208.0 54
  67.000 49505.0 34
  67.500 34653.5 24
  68.100 24752.5 17
  69.000 79208.0 54
  70.200 24752.5 17
  72.000 188119.0 128
  72.800 19802.0 14
  80.300 257426.0 176
  81.400 29703.0 20
  84.000 178218.0 122
  91.200 59406.0 41
  96.000 24752.5 17
  97.300 39604.0 27
  102.900 9901.0 7
  106.700 19802.0 14
  113.300 19802.0 14
  115.400 39604.0 27
  117.300 29703.0 20
  120.100 59406.0 41
  147.100 14851.5 10
//

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