ACCESSION: MSBNK-Kazusa-KZ000170
RECORD_TITLE: 1-Methylhistamine; GC-EI-TOF; MS; 2 TMS; BP:174
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01385_P000102

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$LINK: CAS 501-75-7
CH$LINK: KEGG C05127
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 1995.2
AC$CHROMATOGRAPHY: RETENTION_TIME 918.963 sec

MS$FOCUSED_ION: BASE_PEAK 174
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0fki-3900000000-8197b65f233a917f6f5d
PK$NUM_PEAK: 110
PK$PEAK: m/z int. rel.int.
  82 12 12
  83 16 16
  84 30 30
  85 23 23
  86 747 747
  87 82 82
  88 36 36
  89 2 2
  90 2 2
  91 1 1
  92 1 1
  93 1 1
  94 3 3
  95 108 108
  96 45 45
  97 37 37
  98 23 23
  99 11 11
  100 367 367
  101 55 55
  102 37 37
  103 6 6
  104 2 2
  107 8 8
  108 10 10
  109 17 17
  110 9 9
  111 5 5
  112 53 53
  113 20 20
  114 14 14
  115 10 10
  116 24 24
  117 26 26
  118 5 5
  119 2 2
  120 4 4
  121 1 1
  122 2 2
  123 6 6
  124 4 4
  125 6 6
  126 29 29
  127 13 13
  128 5 5
  129 3 3
  130 91 91
  131 25 25
  132 14 14
  133 3 3
  134 1 1
  135 6 6
  136 2 2
  137 6 6
  138 3 3
  139 14 14
  140 5 5
  141 4 4
  142 2 2
  143 1 1
  144 5 5
  145 1 1
  146 37 37
  147 12 12
  148 4 4
  149 2 2
  150 4 4
  151 5 5
  152 2 2
  153 12 12
  154 5 5
  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 8 8
  168 116 116
  169 23 23
  170 12 12
  171 2 2
  172 12 12
  173 4 4
  174 999 999
  175 206 206
  176 102 102
  177 13 13
  178 4 4
  179 3 3
  180 101 101
  181 20 20
  182 15 15
  183 2 2
  194 2 2
  195 1 1
  196 7 7
  197 1 1
  224 1 1
  225 1 1
  238 2 2
  252 3 3
  253 2 2
  254 168 168
  255 46 46
  256 18 18
  257 3 3
  268 1 1
//