MassBank Record: PR010019



 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: PR010019
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 1919.5 AC$CHROMATOGRAPHY: RETENTION_TIME 467.251 sec
MS$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$SPLASH: splash10-05fr-8920000000-889174e7b333b76113b4 PK$NUM_PEAK: 169 PK$PEAK: m/z int. rel.int. 60 8 8 61 7 7 66 4 4 67 2 2 69 3 3 70 4 4 71 3 3 72 17 17 73 999 999 74 90 90 75 78 78 76 6 6 77 9 9 78 1 1 79 3 3 80 1 1 81 2 2 82 2 2 83 10 10 84 13 13 85 4 4 86 11 11 87 7 7 88 4 4 89 69 69 90 6 6 91 3 3 96 1 1 97 1 1 98 2 2 99 6 6 100 23 23 101 24 24 102 12 12 103 115 115 104 12 12 105 9 9 106 1 1 110 1 1 111 2 2 112 2 2 113 15 15 114 4 4 115 6 6 116 7 7 117 67 67 118 8 8 119 6 6 125 1 1 126 2 2 127 8 8 128 14 14 129 83 83 130 16 16 131 24 24 132 7 7 133 31 31 134 4 4 135 2 2 137 1 1 140 1 1 141 9 9 142 7 7 143 12 12 144 7 7 145 3 3 146 4 4 147 198 198 148 30 30 149 18 18 150 2 2 151 1 1 152 1 1 153 1 1 154 1 1 155 1 1 156 1 1 157 47 47 158 8 8 159 490 490 160 62 62 161 21 21 162 2 2 163 3 3 165 1 1 168 4 4 169 2 2 170 1 1 171 2 2 172 3 3 173 2 2 174 1 1 175 2 2 177 2 2 185 2 2 186 1 1 187 1 1 188 2 2 189 13 13 190 5 5 191 5 5 192 1 1 195 1 1 199 1 1 200 2 2 201 8 8 202 3 3 203 8 8 204 17 17 205 125 125 206 25 25 207 12 12 208 1 1 213 1 1 214 3 3 215 5 5 216 10 10 217 57 57 218 12 12 219 5 5 220 1 1 221 2 2 227 2 2 228 1 1 229 17 17 230 5 5 231 7 7 232 7 7 233 4 4 234 1 1 240 2 2 241 2 2 242 3 3 243 4 4 244 2 2 245 1 1 247 1 1 255 1 1 258 1 1 261 1 1 267 3 3 268 1 1 273 30 30 274 7 7 275 3 3 277 3 3 278 1 1 290 1 1 291 3 3 292 1 1 303 5 5 304 3 3 305 3 3 306 1 1 307 3 3 316 1 1 318 1 1 319 74 74 320 22 22 321 10 10 322 2 2 332 1 1 357 1 1 447 2 2 448 1 1 536 1 1 537 7 7 538 4 4 539 2 2 //