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MassBank Record: KO002987

D-(+)-Galactosamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO002987
RECORD_TITLE: D-(+)-Galactosamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID G046

CH$NAME: Galactosamine
CH$NAME: D-Chondrosamine
CH$NAME: 2-Amino-2-deoxy-D-galactose
CH$NAME: D-Galactosamine
CH$NAME: D-(+)-Galactosamine
CH$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$LINK: CAS 7535-00-4
CH$LINK: CHEBI 28328
CH$LINK: KEGG C02262
CH$LINK: NIKKAJI J16.141A
CH$LINK: PUBCHEM SID:5324
CH$LINK: INCHIKEY MSWZFWKMSRAUBD-GASJEMHNSA-N
CH$LINK: COMPTOX DTXSID7043871

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$SPLASH: splash10-00dl-9000000000-83952882fb65d1a4d60b
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  41.100 158416.0 50
  42.200 79208.0 25
  43.100 133663.5 42
  44.000 1896041.5 599
  44.900 1297031.0 410
  45.900 79208.0 25
  53.100 79208.0 25
  55.400 237624.0 75
  56.000 202970.5 64
  57.100 663367.0 209
  58.000 59406.0 19
  59.300 103960.5 33
  60.100 311881.5 98
  61.100 267327.0 84
  68.200 306931.0 97
  69.100 658416.5 208
  70.200 455446.0 144
  70.900 39604.0 13
  71.900 3163369.5 999
  72.900 133663.5 42
  77.800 49505.0 16
  78.800 44554.5 14
  80.100 490099.5 155
  81.200 133663.5 42
  84.300 212871.5 67
  85.200 69307.0 22
  91.000 103960.5 33
  96.300 1113862.5 352
  97.000 113861.5 36
  97.800 138614.0 44
  98.400 24752.5 8
  101.100 29703.0 9
  102.500 29703.0 9
  105.400 24752.5 8
  107.100 64356.5 20
  108.800 24752.5 8
  115.100 34653.5 11
  116.200 94059.5 30
  117.400 39604.0 13
  125.800 39604.0 13
  127.900 128713.0 41
  130.000 193069.5 61
//

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