ACCESSION: MSBNK-RIKEN-PR010124
RECORD_TITLE: 1-Methylhistamine; GC-EI-TOF; MS; 2 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$NAME: 1-Methylhistamine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₁N₃
CH$EXACT_MASS: 125.09530
CH$SMILES: NCCc(n1)cn(C)c1
CH$IUPAC: InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3
CH$LINK: CAS 6481-48-7
CH$LINK: NIKKAJI J415.011B
CH$LINK: INCHIKEY FHQDWPCFSJMNCT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30198207

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$CHROMATOGRAPHY: RETENTION_INDEX 1765.6
AC$CHROMATOGRAPHY: RETENTION_TIME 428.142 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C12H27N3Si2
MS$FOCUSED_ION: DERIVATIVE_MASS 269.17435
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9700000000-b8108f1cb31c26ab942f
PK$NUM_PEAK: 126
PK$PEAK: m/z int. rel.int.
  60 24 24
  61 10 10
  64 1 1
  65 2 2
  66 10 10
  67 14 14
  68 7 7
  69 6 6
  70 21 21
  71 12 12
  72 27 27
  73 999 999
  74 82 82
  75 28 28
  76 2 2
  77 6 6
  78 4 4
  79 22 22
  80 5 5
  81 23 23
  82 9 9
  83 13 13
  84 23 23
  85 16 16
  86 487 487
  87 46 46
  88 19 19
  89 1 1
  90 1 1
  91 1 1
  92 1 1
  93 1 1
  94 2 2
  95 77 77
  96 37 37
  97 24 24
  98 15 15
  99 8 8
  100 228 228
  101 34 34
  102 22 22
  103 3 3
  104 1 1
  107 6 6
  108 9 9
  109 12 12
  110 5 5
  111 4 4
  112 33 33
  113 12 12
  114 9 9
  115 6 6
  116 16 16
  117 18 18
  118 4 4
  119 1 1
  120 4 4
  121 1 1
  122 1 1
  123 4 4
  124 3 3
  125 4 4
  126 21 21
  127 9 9
  128 3 3
  129 3 3
  130 62 62
  131 15 15
  132 9 9
  133 2 2
  134 1 1
  135 5 5
  136 1 1
  137 4 4
  138 2 2
  139 10 10
  140 4 4
  141 3 3
  142 2 2
  144 4 4
  145 1 1
  146 20 20
  147 4 4
  148 2 2
  149 1 1
  150 3 3
  151 4 4
  152 2 2
  153 9 9
  154 4 4
  155 2 2
  156 1 1
  158 4 4
  159 1 1
  160 1 1
  164 2 2
  165 5 5
  166 4 4
  167 6 6
  168 131 131
  169 21 21
  170 7 7
  171 1 1
  172 8 8
  173 2 2
  174 718 718
  175 129 129
  176 63 63
  177 7 7
  178 2 2
  179 1 1
  180 56 56
  181 10 10
  182 7 7
  183 1 1
  194 1 1
  196 4 4
  224 1 1
  238 2 2
  252 2 2
  253 1 1
  254 118 118
  255 28 28
  256 10 10
  257 1 1
  268 2 2
//