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MassBank Record: KO003015

Galactosamine 1-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO003015
RECORD_TITLE: Galactosamine 1-phosphate; LC-ESI-QQ; MS2; CE:20 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 G065

CH$NAME: Galactosamine 1-phosphate
CH$NAME: D-Galactosamine 1-phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14NO8P
CH$EXACT_MASS: 259.04570
CH$SMILES: OCC(O1)C(O)C(O)C(N)C1OP(O)(O)=O
CH$IUPAC: InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1
CH$LINK: KEGG C03783
CH$LINK: PUBCHEM SID:6534
CH$LINK: INCHIKEY YMJBYRVFGYXULK-GASJEMHNSA-N
CH$LINK: COMPTOX DTXSID30949296

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 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 260
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03di-2900000000-ed4b5241c6af1c6b6252
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  59.500 19802.0 1
  69.100 29703.0 2
  71.500 128713.0 7
  72.100 2945547.5 160
  77.900 9901.0 1
  80.200 49505.0 3
  82.900 54455.5 3
  84.100 193069.5 10
  85.100 123762.5 7
  90.900 24752.5 1
  96.000 1727724.5 94
  96.800 59406.0 3
  98.000 188119.0 10
  98.300 64356.5 3
  100.400 19802.0 1
  101.900 44554.5 2
  107.800 54455.5 3
  111.300 44554.5 2
  112.500 24752.5 1
  113.200 44554.5 2
  115.900 74257.5 4
  126.100 1717823.5 93
  127.100 138614.0 8
  138.700 14851.5 1
  144.100 1554457.0 84
  145.100 237624.0 13
  152.100 39604.0 2
  152.500 29703.0 2
  157.900 9901.0 1
  162.200 18430711.5 999
  180.000 29703.0 2
  201.300 267327.0 14
  225.100 54455.5 3
  243.300 84158.5 5
  260.500 54455.5 3
//

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