MassBank Record: KZ000170



 1-Methylhistamine; GC-EI-TOF; MS; 2 TMS; BP:174 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000170
RECORD_TITLE: 1-Methylhistamine; GC-EI-TOF; MS; 2 TMS; BP:174
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, 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 //

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