MassBank Record: PR010024



 Pyridoxamine; GC-EI-TOF; MS; 3 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010024
RECORD_TITLE: Pyridoxamine; GC-EI-TOF; MS; 3 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$NAME: Pyridoxamine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C8H12N2O2 CH$EXACT_MASS: 168.08988 CH$SMILES: OCc(c1)c(CN)c(O)c(C)n1 CH$IUPAC: InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3 CH$LINK: CAS 524-36-7 CH$LINK: NIKKAJI J243.972G
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$CHROMATOGRAPHY: RETENTION_INDEX 1934.7 AC$CHROMATOGRAPHY: RETENTION_TIME 470.287 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C17H36N2O2Si3 MS$FOCUSED_ION: DERIVATIVE_MASS 384.20846 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9350000000-3b1415672e7ab22d5e64 PK$NUM_PEAK: 160 PK$PEAK: m/z int. rel.int. 60 7 7 61 9 9 62 1 1 63 3 3 64 1 1 65 6 6 66 4 4 67 3 3 69 1 1 70 5 5 71 4 4 72 16 16 73 999 999 74 126 126 75 93 93 76 10 10 77 20 20 78 5 5 79 14 14 80 3 3 81 1 1 82 1 1 83 6 6 84 5 5 85 4 4 86 5 5 87 2 2 88 1 1 89 3 3 90 1 1 91 5 5 92 3 3 93 3 3 94 4 4 95 3 3 96 1 1 97 4 4 98 2 2 99 2 2 100 6 6 101 1 1 102 13 13 103 6 6 104 7 7 105 5 5 106 10 10 107 3 3 108 2 2 109 3 3 110 2 2 111 2 2 112 1 1 113 2 2 114 1 1 115 4 4 116 3 3 117 6 6 118 5 5 119 6 6 120 6 6 121 4 4 122 3 3 123 3 3 124 3 3 125 1 1 129 1 1 130 21 21 131 22 22 132 15 15 133 24 24 134 7 7 135 4 4 136 4 4 137 2 2 138 2 2 143 1 1 144 1 1 145 2 2 146 33 33 147 70 70 148 18 18 149 20 20 150 7 7 151 2 2 152 2 2 158 1 1 160 2 2 161 1 1 162 5 5 163 3 3 164 9 9 165 3 3 166 3 3 167 1 1 172 3 3 173 1 1 174 1 1 175 2 2 176 5 5 177 4 4 178 12 12 179 6 6 180 11 11 181 2 2 182 1 1 188 1 1 189 3 3 190 7 7 191 5 5 192 14 14 193 9 9 194 11 11 195 4 4 196 2 2 203 1 1 204 8 8 205 76 76 206 30 30 207 28 28 208 11 11 209 3 3 210 1 1 219 2 2 220 4 4 221 42 42 222 11 11 223 4 4 224 1 1 235 1 1 236 2 2 237 1 1 238 1 1 249 1 1 250 5 5 251 5 5 252 11 11 253 4 4 254 1 1 263 1 1 264 3 3 265 4 4 266 2 2 267 1 1 268 2 2 278 1 1 279 24 24 280 286 286 281 79 79 282 31 31 283 5 5 284 2 2 293 10 10 294 31 31 295 103 103 296 28 28 297 10 10 298 2 2 369 11 11 370 3 3 371 1 1 //