MassBank Record: KO002984

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D-(+)-Galactosamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: 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$LINK: INCHIKEY FZHXIRIBWMQPQF-KCDKBNATSA-N
CH$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 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.
  45.5 19802.0 1.0
  46.0 153466.0 4.0
  50.4 19802.0 1.0
  53.6 49505.0 1.0
  54.2 1866340.0 46.0
  60.2 14851.5 1.0
  70.0 9901.0 1.0
  71.8 2000000.0 49.0
  74.1 49505.0 1.0
  76.0 84158.5 2.0
  80.0 99010.0 2.0
  83.1 59406.0 1.0
  83.3 59406.0 1.0
  87.3 183168.0 5.0
  87.9 222772.0 6.0
  89.0 603961.0 15.0
  90.2 262376.0 6.0
  91.1 74257.5 2.0
  96.0 1252480.0 31.0
  97.6 59406.0 1.0
  98.0 143564.0 4.0
  99.0 59406.0 1.0
  101.3 633664.0 16.0
  102.3 29703.0 1.0
  103.1 74257.5 2.0
  107.0 2544560.0 63.0
  108.2 168317.0 4.0
  112.1 193070.0 5.0
  112.9 39604.0 1.0
  113.4 19802.0 1.0
  114.2 24752.5 1.0
  116.1 599010.0 15.0
  117.3 297030.0 7.0
  120.0 148515.0 4.0
  120.5 29703.0 1.0
  125.9 1990100.0 49.0
  127.0 138614.0 3.0
  129.2 29703.0 1.0
  129.7 74257.5 2.0
  131.3 202970.0 5.0
  138.6 74257.5 2.0
  144.0 1658420.0 41.0
  145.1 272278.0 7.0
  146.1 321782.0 8.0
  147.0 113862.0 3.0
  148.2 1509900.0 37.0
  162.2 4.04159E7 999.0
  163.2 3.52921E7 872.0
  180.2 3.34802E7 828.0
//