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MassBank Record: KO000914

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: KO000914
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 258
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0a6r-9080000000-096d5472c0ebcf3b7cac
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  35.300 29703.0 2
  37.100 420792.5 29
  59.200 64356.5 4
  78.800 11534665.0 782
  97.000 3509904.5 238
  100.000 89109.0 6
  100.800 44554.5 3
  114.900 39604.0 3
  119.100 376238.0 26
  131.300 34653.5 2
  134.900 118812.0 8
  138.000 420792.5 29
  141.900 34653.5 2
  152.000 14851.5 1
  180.000 84158.5 6
  198.900 217822.0 15
  202.600 14851.5 1
  205.900 9901.0 1
  212.500 54455.5 4
  220.500 59406.0 4
  222.100 44554.5 3
  225.200 69307.0 5
  240.600 198020.0 13
  258.200 14732688.0 999
//

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