ACCESSION: MSBNK-Keio_Univ-KO002984
RECORD_TITLE: D-(+)-Galactosamine; LC-ESI-QQ; MS2; CE:10 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 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$SMILES: O=CC(N)C(O)C(O)C(O)CO
CH$IUPAC: InChI=1S/C6H13NO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2,7H2/t3-,4+,5+,6-/m0/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 FZHXIRIBWMQPQF-KCDKBNATSA-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 10 V

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

PK$SPLASH: splash10-03di-0900000000-c3fc33fe38f48a048183
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  45.500 19802.0 1
  46.000 153465.5 4
  50.400 19802.0 1
  53.600 49505.0 1
  54.200 1866338.5 46
  60.200 14851.5 1
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  80.000 99010.0 2
  83.100 59406.0 1
  83.300 59406.0 1
  87.300 183168.5 5
  87.900 222772.5 6
  89.000 603961.0 15
  90.200 262376.5 6
  91.100 74257.5 2
  96.000 1252476.5 31
  97.600 59406.0 1
  98.000 143564.5 4
  99.000 59406.0 1
  101.300 633664.0 16
  102.300 29703.0 1
  103.100 74257.5 2
  107.000 2544557.0 63
  108.200 168317.0 4
  112.100 193069.5 5
  112.900 39604.0 1
  113.400 19802.0 1
  114.200 24752.5 1
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  117.300 297030.0 7
  120.000 148515.0 4
  120.500 29703.0 1
  125.900 1990101.0 49
  127.000 138614.0 3
  129.200 29703.0 1
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  144.000 1658417.5 41
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  148.200 1509902.5 37
  162.200 40415882.0 999
  163.200 35292114.5 872
  180.200 33480231.5 828
//