MassBank Record: MSBNK-Keio_Univ-KO002988
ACCESSION: MSBNK-Keio_Univ-KO002988
RECORD_TITLE: D-(+)-Galactosamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID G046
CH$NAME: Galactosamine
CH$NAME: D-Chondrosamine
CH$NAME: 2-Amino-2-deoxy-D-galactose
CH$NAME: D-Galactosamine
CH$NAME: D-(+)-Galactosamine
CH$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$LINK: CAS
7535-00-4
CH$LINK: CHEBI
28328
CH$LINK: KEGG
C02262
CH$LINK: NIKKAJI
J16.141A
CH$LINK: PUBCHEM
SID:5324
CH$LINK: INCHIKEY
MSWZFWKMSRAUBD-GASJEMHNSA-N
CH$LINK: COMPTOX
DTXSID7043871
AC$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$SPLASH: splash10-0006-9000000000-7831c51a05febcbc4c39
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
40.700 74257.5 77
44.200 960397.0 999
44.900 396040.0 412
46.300 34653.5 36
55.100 99010.0 103
56.400 79208.0 82
57.100 99010.0 103
68.100 212871.5 221
69.300 163366.5 170
70.300 188119.0 196
72.100 366337.0 381
76.300 19802.0 21
78.300 54455.5 57
79.900 59406.0 62
81.600 34653.5 36
84.100 44554.5 46
89.200 39604.0 41
91.100 74257.5 77
96.200 148515.0 154
98.100 29703.0 31
120.800 14851.5 15
128.200 29703.0 31
130.000 34653.5 36
//
system version 2.2.6-SNAPSHOT