ACCESSION: MSBNK-RIKEN-PR010060
RECORD_TITLE: L-Histidinol; 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$NAME: L-Histidinol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₁N₃O
CH$EXACT_MASS: 141.09021
CH$SMILES: C1=C(NC=N1)C[C@@H](CO)N
CH$IUPAC: InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1
CH$LINK: CAS 1596-64-1
CH$LINK: NIKKAJI J311.564J
CH$LINK: INCHIKEY ZQISRDCJNBUVMM-YFKPBYRVSA-N
CH$LINK: COMPTOX DTXSID50863460

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$CHROMATOGRAPHY: RETENTION_INDEX 1846.1
AC$CHROMATOGRAPHY: RETENTION_TIME 451.939 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C15H35N3OSi3
MS$FOCUSED_ION: DERIVATIVE_MASS 357.20879
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0fk9-9540000000-9d5008be3cb2086af6f4
PK$NUM_PEAK: 138
PK$PEAK: m/z int. rel.int.
  60 9 9
  61 5 5
  62 1 1
  63 1 1
  66 2 2
  67 2 2
  69 2 2
  70 11 11
  71 6 6
  72 21 21
  73 999 999
  74 95 95
  75 58 58
  76 5 5
  77 16 16
  78 3 3
  79 15 15
  80 3 3
  81 12 12
  82 37 37
  83 14 14
  84 18 18
  85 9 9
  86 7 7
  87 3 3
  88 11 11
  89 8 8
  90 1 1
  92 1 1
  93 1 1
  94 1 1
  95 4 4
  96 4 4
  97 3 3
  98 9 9
  99 3 3
  100 41 41
  101 6 6
  102 4 4
  103 5 5
  104 1 1
  105 1 1
  107 2 2
  108 1 1
  109 1 1
  110 5 5
  111 4 4
  112 11 11
  113 4 4
  114 18 18
  115 7 7
  116 37 37
  117 7 7
  118 3 3
  119 2 2
  121 1 1
  123 1 1
  124 2 2
  125 3 3
  126 6 6
  127 3 3
  128 3 3
  129 1 1
  130 9 9
  131 7 7
  132 8 8
  133 8 8
  134 1 1
  135 1 1
  136 1 1
  137 1 1
  138 1 1
  139 5 5
  140 2 2
  141 2 2
  142 1 1
  146 4 4
  147 28 28
  148 5 5
  149 2 2
  150 2 2
  151 3 3
  152 1 1
  153 51 51
  154 293 293
  155 115 115
  156 23 23
  157 4 4
  158 2 2
  162 1 1
  163 1 1
  165 1 1
  166 11 11
  167 10 10
  168 2 2
  169 1 1
  170 1 1
  172 1 1
  174 1 1
  179 2 2
  180 2 2
  181 2 2
  182 7 7
  183 1 1
  184 1 1
  188 21 21
  189 5 5
  190 2 2
  194 1 1
  195 1 1
  197 1 1
  198 1 1
  203 3 3
  204 228 228
  205 46 46
  206 19 19
  207 2 2
  211 2 2
  212 1 1
  213 1 1
  225 2 2
  226 59 59
  227 15 15
  228 6 6
  229 1 1
  238 11 11
  239 4 4
  240 1 1
  252 8 8
  253 6 6
  254 187 187
  255 45 45
  256 17 17
  257 2 2
  268 1 1
  342 11 11
  343 3 3
  344 1 1
//