MassBank Record: MSBNK-Keio_Univ-KO000904
ACCESSION: MSBNK-Keio_Univ-KO000904
RECORD_TITLE: Glucosaminic acid; 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 G061
CH$NAME: Glucosaminate
CH$NAME: D-Glucosaminate
CH$NAME: 2-Amino-2-deoxy-D-gluconate
CH$NAME: D-Glucosaminic acid
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$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 194
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00dl-9400000000-c0bdb2f22cdd1a8a8a10
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
59.300 143564.5 152
70.000 29703.0 31
74.200 945545.5 999
85.900 361386.5 382
88.700 24752.5 26
89.400 84158.5 89
96.500 44554.5 47
98.100 316832.0 335
100.800 44554.5 47
127.900 168317.0 178
140.100 34653.5 37
149.400 19802.0 21
157.800 79208.0 84
194.500 559406.5 591
//
system version 2.2.6-SNAPSHOT