MassBank Record: KO003017

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Galactosamine 1-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO003017
RECORD_TITLE: Galactosamine 1-phosphate; LC-ESI-QQ; MS2; CE:40 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$EXACT_MASS: 259.0457000000000107320374809205532073974609375
CH$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: COMPTOX DTXSID30949296
CH$LINK: INCHIKEY YMJBYRVFGYXULK-GASJEMHNSA-N
CH$LINK: KEGG C03783
CH$LINK: PUBCHEM SID:6534

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 40 V

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

PK$SPLASH: splash10-00di-9000000000-0b9f1568f2f97a2e9f30
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  43.800 301980.5 53
  56.200 84158.5 15
  57.300 99010.0 17
  60.200 153465.5 27
  67.700 54455.5 10
  68.200 168317.0 29
  69.300 415842.0 73
  70.000 252475.5 44
  71.900 5702976.0 999
  73.100 79208.0 14
  79.800 287129.0 50
  81.100 153465.5 27
  84.100 435644.0 76
  85.100 564357.0 99
  86.000 44554.5 8
  95.000 44554.5 8
  96.000 2094061.5 367
  97.000 400990.5 70
  98.000 326733.0 57
  100.100 49505.0 9
  101.600 39604.0 7
  103.200 29703.0 5
  105.000 44554.5 8
  107.900 64356.5 11
  109.400 99010.0 17
  114.100 54455.5 10
  114.900 54455.5 10
  123.800 9901.0 2
  125.900 252475.5 44
  143.800 54455.5 10
  154.800 19802.0 3
  162.300 79208.0 14
//