MassBank Record: PR010020



 D-(+)-Galactosamine; GC-EI-TOF; MS; 5 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010020
RECORD_TITLE: D-(+)-Galactosamine; GC-EI-TOF; MS; 5 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: D-Galactosamine CH$NAME: D-(+)-Galactosamine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H13NO5 CH$EXACT_MASS: 179.07937 CH$SMILES: OC[C@@H](O1)[C@H](O)[C@H](O)[C@@H](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 1772-03-8 CH$LINK: NIKKAJI J237.701B
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_INDEX 1925.7 AC$CHROMATOGRAPHY: RETENTION_TIME 468.505 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C21H53NO5Si5 MS$FOCUSED_ION: DERIVATIVE_MASS 539.27701 MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9710000000-cb25ace7443af0fa2d98 PK$NUM_PEAK: 159 PK$PEAK: m/z int. rel.int. 60 12 12 61 14 14 62 1 1 63 1 1 65 1 1 66 7 7 67 4 4 69 3 3 70 6 6 71 4 4 72 18 18 73 999 999 74 101 101 75 221 221 76 20 20 77 25 25 78 4 4 79 13 13 80 3 3 81 2 2 82 3 3 83 15 15 84 24 24 85 6 6 86 12 12 87 13 13 88 5 5 89 89 89 90 9 9 91 3 3 92 1 1 93 1 1 94 1 1 95 1 1 96 2 2 97 1 1 98 3 3 99 7 7 100 21 21 101 26 26 102 13 13 103 86 86 104 9 9 105 5 5 110 1 1 111 3 3 112 2 2 113 14 14 114 4 4 115 5 5 116 8 8 117 66 66 118 8 8 119 6 6 120 1 1 126 1 1 127 7 7 128 16 16 129 114 114 130 20 20 131 28 28 132 7 7 133 31 31 134 3 3 135 3 3 137 1 1 139 1 1 140 1 1 141 7 7 142 8 8 143 12 12 144 16 16 145 3 3 146 3 3 147 204 204 148 32 32 149 19 19 150 1 1 152 1 1 153 1 1 154 1 1 155 1 1 156 1 1 157 61 61 158 11 11 159 306 306 160 41 41 161 15 15 162 2 2 163 4 4 165 1 1 168 6 6 169 2 2 171 3 3 172 3 3 173 2 2 174 1 1 175 2 2 177 1 1 185 2 2 186 1 1 187 1 1 188 2 2 189 9 9 190 4 4 191 4 4 192 1 1 195 1 1 199 1 1 200 3 3 201 10 10 202 2 2 203 12 12 204 18 18 205 132 132 206 25 25 207 11 11 209 1 1 213 1 1 214 2 2 215 3 3 216 8 8 217 36 36 218 8 8 219 3 3 221 2 2 227 2 2 229 19 19 230 6 6 231 4 4 232 12 12 233 3 3 240 1 1 241 1 1 242 1 1 243 2 2 244 3 3 245 1 1 258 1 1 261 2 2 267 1 1 268 1 1 273 1 1 277 2 2 291 3 3 292 1 1 304 5 5 305 4 4 306 1 1 307 1 1 318 1 1 319 77 77 320 23 23 321 10 10 322 1 1 332 1 1 447 1 1 537 1 1 538 1 1 //