MassBank Record: MSBNK-Keio_Univ-KO002998
ACCESSION: MSBNK-Keio_Univ-KO002998
RECORD_TITLE: D-(+)-Glucosamine; 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 G051
CH$NAME: Glucosamine
CH$NAME: D-Glucosamine
CH$NAME: Chitosamine
CH$NAME: 2-Amino-2-deoxy-D-glucose
CH$NAME: D-(+)-Glucosamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H13NO5
CH$EXACT_MASS: 179.07937
CH$SMILES: OCC(O1)C(O)C(O)C(N)C(O)1
CH$IUPAC: InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1
CH$LINK: CAS
3416-24-8
CH$LINK: CHEBI
17315
CH$LINK: KEGG
C00329
CH$LINK: NIKKAJI
J10.582A
CH$LINK: PUBCHEM
SID:3623
CH$LINK: INCHIKEY
MSWZFWKMSRAUBD-QZABAPFNSA-N
CH$LINK: COMPTOX
DTXSID4023098
AC$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$FOCUSED_ION: PRECURSOR_M/Z 180
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0005-9000000000-87345e602c89eb5bd145
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
29.900 29703.0 44
41.100 128713.0 192
42.200 89109.0 133
43.100 118812.0 178
44.100 490099.5 733
45.200 420792.5 629
46.200 668317.5 999
53.300 54455.5 81
55.100 123762.5 185
56.300 287129.0 429
56.900 84158.5 126
58.300 59406.0 89
60.200 396040.0 592
67.400 69307.0 104
69.000 366337.0 548
70.100 84158.5 126
72.000 336634.0 503
78.100 59406.0 89
80.900 9901.0 15
83.900 74257.5 111
85.000 39604.0 59
95.800 19802.0 30
115.300 44554.5 67
//
system version 2.2.6-SNAPSHOT