ACCESSION: MSBNK-Keio_Univ-KO003008
RECORD_TITLE: Glucosaminic acid; LC-ESI-QQ; MS2; CE:50 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 G061

CH$NAME: Glucosaminate
CH$NAME: D-Glucosaminate
CH$NAME: D-Glucosaminic acid
CH$NAME: 2-Amino-2-deoxy-D-gluconate
CH$NAME: Glucosaminic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₃NO₆
CH$EXACT_MASS: 195.07429
CH$SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](N)C(O)=O
CH$IUPAC: InChI=1S/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13)/t2-,3-,4-,5-/m1/s1
CH$LINK: CAS 3646-68-2
CH$LINK: CHEBI 17784
CH$LINK: KEGG C03752
CH$LINK: NIKKAJI J205.566J
CH$LINK: PUBCHEM SID:6511
CH$LINK: INCHIKEY UFYKDFXCZBTLOO-TXICZTDVSA-N
CH$LINK: COMPTOX DTXSID60878848

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$FOCUSED_ION: PRECURSOR_M/Z 196
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0603-9000000000-663cebd77a0050d68779
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  45.100 24752.5 454
  55.100 29703.0 545
  56.900 19802.0 363
  60.100 29703.0 545
  67.900 44554.5 817
  70.000 54455.5 999
  72.400 14851.5 272
  77.400 14851.5 272
  84.800 19802.0 363
  91.000 34653.5 636
//