MassBank Record: PR010124



 1-Methylhistamine; GC-EI-TOF; MS; 2 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //