ACCESSION: MSBNK-Keio_Univ-KO002956
RECORD_TITLE: D-Glucosamine 6-phosphate; LC-ESI-QQ; MS2; CE:30 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 G021

CH$NAME: Glucosamine 6-phosphate
CH$NAME: D-Glucosamine 6-phosphate
CH$NAME: D-Glucosamine phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄NO₈P
CH$EXACT_MASS: 259.04570
CH$SMILES: OC(O1)[C@H](N)[C@@H](O)[C@H](O)[C@H]1COP(O)(O)=O
CH$IUPAC: InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6?/m1/s1
CH$LINK: CAS 3616-42-0
CH$LINK: CHEBI 15873
CH$LINK: KEGG C00352
CH$LINK: NIKKAJI J79.822C
CH$LINK: PUBCHEM SID:3645
CH$LINK: INCHIKEY XHMJOUIAFHJHBW-IVMDWMLBSA-N

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 30 V

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

PK$SPLASH: splash10-0a6s-5910000000-c106bcfa826f3bdfca76
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  42.700 9901.0 9
  59.800 19802.0 17
  68.800 34653.5 30
  72.000 84158.5 74
  72.300 34653.5 30
  80.100 133663.5 117
  80.800 89109.0 78
  82.800 44554.5 39
  84.200 608911.5 534
  89.400 14851.5 13
  92.100 39604.0 35
  93.100 29703.0 26
  95.100 24752.5 22
  95.900 54455.5 48
  97.900 861387.0 756
  98.600 316832.0 278
  107.200 262376.5 230
  108.100 707921.5 621
  108.900 346535.0 304
  112.900 79208.0 69
  113.500 39604.0 35
  116.100 44554.5 39
  120.400 232673.5 204
  122.100 69307.0 61
  126.000 1138615.0 999
  135.000 227723.0 200
  135.400 64356.5 56
  136.900 54455.5 48
  140.600 29703.0 26
  144.200 470297.5 413
  183.900 64356.5 56
  187.800 24752.5 22
  201.200 613862.0 539
//