MassBank Record: MSBNK-Keio_Univ-KO002987
ACCESSION: MSBNK-Keio_Univ-KO002987
RECORD_TITLE: D-(+)-Galactosamine; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 180
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00dl-9000000000-83952882fb65d1a4d60b
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
41.100 158416.0 50
42.200 79208.0 25
43.100 133663.5 42
44.000 1896041.5 599
44.900 1297031.0 410
45.900 79208.0 25
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55.400 237624.0 75
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57.100 663367.0 209
58.000 59406.0 19
59.300 103960.5 33
60.100 311881.5 98
61.100 267327.0 84
68.200 306931.0 97
69.100 658416.5 208
70.200 455446.0 144
70.900 39604.0 13
71.900 3163369.5 999
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77.800 49505.0 16
78.800 44554.5 14
80.100 490099.5 155
81.200 133663.5 42
84.300 212871.5 67
85.200 69307.0 22
91.000 103960.5 33
96.300 1113862.5 352
97.000 113861.5 36
97.800 138614.0 44
98.400 24752.5 8
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115.100 34653.5 11
116.200 94059.5 30
117.400 39604.0 13
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130.000 193069.5 61
//