MassBank Record: KO002986

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D-(+)-Galactosamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO002986
RECORD_TITLE: D-(+)-Galactosamine; LC-ESI-QQ; MS2; CE:30 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$LINK: COMPTOX DTXSID7043871
CH$LINK: INCHIKEY MSWZFWKMSRAUBD-GASJEMHNSA-N
CH$LINK: KEGG C02262
CH$LINK: NIKKAJI J16.141A
CH$LINK: PUBCHEM SID:5324

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 30 V

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

PK$SPLASH: splash10-00di-9000000000-2d0c3fca6d602d08ee38
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  41.3 94059.5 8.0
  42.0 29703.0 3.0
  43.0 84158.5 7.0
  44.1 1069310.0 94.0
  45.0 1851490.0 162.0
  46.2 188119.0 16.0
  54.2 19802.0 2.0
  55.1 386139.0 34.0
  57.1 1029700.0 90.0
  58.3 84158.5 7.0
  59.1 173268.0 15.0
  60.0 405941.0 36.0
  61.1 292080.0 26.0
  62.8 74257.5 6.0
  68.2 376238.0 33.0
  69.0 762377.0 67.0
  70.1 846536.0 74.0
  71.1 54455.5 5.0
  72.0 1.14208E7 999.0
  73.2 193070.0 17.0
  80.0 772278.0 68.0
  80.8 346535.0 30.0
  82.1 69307.0 6.0
  83.4 103960.0 9.0
  84.0 925744.0 81.0
  85.1 688120.0 60.0
  89.2 569308.0 50.0
  90.3 44554.5 4.0
  94.2 19802.0 2.0
  94.9 29703.0 3.0
  96.1 3366340.0 294.0
  97.1 371288.0 32.0
  98.1 960397.0 84.0
  99.0 34653.5 3.0
  100.0 108911.0 10.0
  101.9 64356.5 6.0
  102.4 34653.5 3.0
  105.0 54455.5 5.0
  106.9 84158.5 7.0
  108.2 222772.0 19.0
  109.2 188119.0 16.0
  113.8 49505.0 4.0
  115.7 24752.5 2.0
  116.4 118812.0 10.0
  117.0 94059.5 8.0
  119.9 44554.5 4.0
  125.9 267327.0 23.0
  127.3 64356.5 6.0
  127.8 108911.0 10.0
  128.9 59406.0 5.0
  130.0 113862.0 10.0
  144.3 44554.5 4.0
  145.2 69307.0 6.0
  146.3 94059.5 8.0
  147.0 49505.0 4.0
  148.4 237624.0 21.0
  162.1 89109.0 8.0
  163.1 49505.0 4.0
  165.1 24752.5 2.0
  180.4 69307.0 6.0
//