ACCESSION: MSBNK-Keio_Univ-KO002988
RECORD_TITLE: D-(+)-Galactosamine; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-0006-9000000000-7831c51a05febcbc4c39
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  40.700 74257.5 77
  44.200 960397.0 999
  44.900 396040.0 412
  46.300 34653.5 36
  55.100 99010.0 103
  56.400 79208.0 82
  57.100 99010.0 103
  68.100 212871.5 221
  69.300 163366.5 170
  70.300 188119.0 196
  72.100 366337.0 381
  76.300 19802.0 21
  78.300 54455.5 57
  79.900 59406.0 62
  81.600 34653.5 36
  84.100 44554.5 46
  89.200 39604.0 41
  91.100 74257.5 77
  96.200 148515.0 154
  98.100 29703.0 31
  120.800 14851.5 15
  128.200 29703.0 31
  130.000 34653.5 36
//