ACCESSION: MSBNK-RIKEN-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
CH$LINK: INCHIKEY NHZMQXZHNVQTQA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6046929

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
//