MassBank Record: KZ000213



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

ACCESSION: KZ000213
RECORD_TITLE: Harmaline; GC-EI-TOF; MS; 1 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_01517_P000161

CH$NAME: Harmaline CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C13H14N2O CH$EXACT_MASS: 214.11061 CH$SMILES: COc(c3)cc(=N1)c(c3)=C(C2)C(=C(C)NC2)1 CH$IUPAC: InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,14H,5-6H2,1-2H3 CH$LINK: CAS 304-21-2 CH$LINK: KEGG C06536 CH$LINK: INCHIKEY QJOZJXNKVMFAET-UHFFFAOYSA-N
AC$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$CHROMATOGRAPHY: RETENTION_INDEX 3187.5 AC$CHROMATOGRAPHY: RETENTION_TIME 1300.11 sec
MS$FOCUSED_ION: BASE_PEAK 174 MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-2900000000-5a24b8eb3a48b990e727 PK$NUM_PEAK: 126 PK$PEAK: m/z int. rel.int. 83 1 1 84 7 7 85 8 8 86 435 435 87 44 44 88 23 23 89 81 81 90 13 13 91 5 5 92 2 2 93 1 1 98 2 2 99 4 4 100 200 200 101 43 43 102 42 42 103 20 20 104 7 7 105 2 2 106 1 1 107 1 1 108 2 2 113 6 6 114 14 14 115 26 26 116 45 45 117 37 37 118 7 7 119 4 4 120 1 1 121 1 1 122 1 1 126 1 1 127 6 6 128 13 13 129 19 19 130 61 61 131 23 23 132 11 11 133 4 4 134 1 1 135 1 1 140 4 4 141 5 5 142 21 21 143 12 12 144 21 21 145 10 10 146 14 14 147 4 4 148 2 2 149 1 1 153 1 1 154 3 3 155 8 8 156 10 10 157 23 23 158 22 22 159 32 32 160 16 16 161 3 3 162 1 1 167 1 1 168 2 2 169 7 7 170 16 16 171 7 7 172 13 13 173 9 9 174 999 999 175 197 197 176 86 86 177 10 10 178 2 2 182 1 1 183 3 3 184 10 10 185 39 39 186 13 13 187 4 4 188 3 3 189 2 2 190 49 49 191 9 9 192 4 4 197 1 1 198 9 9 199 15 15 200 54 54 201 18 18 202 11 11 203 2 2 204 1 1 211 1 1 212 2 2 213 24 24 214 8 8 215 7 7 216 17 17 217 8 8 218 3 3 227 1 1 228 1 1 229 3 3 230 3 3 231 7 7 232 3 3 241 1 1 242 1 1 243 5 5 244 3 3 245 2 2 257 7 7 258 5 5 259 4 4 260 1 1 271 1 1 273 2 2 286 2 2 287 1 1 288 1 1 289 1 1 374 2 2 375 1 1 405 4 4 406 1 1 //

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