MassBank Record: KZ000028



 Eserine; GC-EI-TOF; MS; 1 TMS; BP:246 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000028
RECORD_TITLE: Eserine; GC-EI-TOF; MS; 1 TMS; BP:246
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_01494_P000143

CH$NAME: Eserine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C15H21N3O2 CH$EXACT_MASS: 275.16338 CH$SMILES: CNC(=O)Oc(c3)cc(c(c3)1)C(C)(C2)C(N(C)C2)N(C)1 CH$IUPAC: InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1 CH$LINK: CAS 57-47-6 CH$LINK: KEGG C06535 CH$LINK: INCHIKEY PIJVFDBKTWXHHD-HIFRSBDPSA-N CH$LINK: COMPTOX DTXSID3023471
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 2091.2 AC$CHROMATOGRAPHY: RETENTION_TIME 959.963 sec
MS$FOCUSED_ION: BASE_PEAK 246 MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-001j-1590000000-508da23acfe2c8a2f568 PK$NUM_PEAK: 205 PK$PEAK: m/z int. rel.int. 82 76 76 83 26 26 84 16 16 85 14 14 86 15 15 87 18 18 88 20 20 89 78 78 90 41 41 91 107 107 92 29 29 93 27 27 94 64 64 95 34 34 96 194 194 97 47 47 98 10 10 99 8 8 100 12 12 101 45 45 102 69 69 103 71 71 104 35 35 105 34 34 106 28 28 107 27 27 108 29 29 109 52 52 110 8 8 111 6 6 112 2 2 113 12 12 114 29 29 115 192 192 116 108 108 117 104 104 118 49 49 119 20 20 120 17 17 121 18 18 122 25 25 123 23 23 124 3 3 125 4 4 126 7 7 127 33 33 128 83 83 129 69 69 130 133 133 131 87 87 132 175 175 133 38 38 134 17 17 135 32 32 136 8 8 137 24 24 138 4 4 139 3 3 140 16 16 141 27 27 142 95 95 143 101 101 144 137 137 145 61 61 146 53 53 147 21 21 148 16 16 149 33 33 150 21 21 151 18 18 152 6 6 153 5 5 154 31 31 155 26 26 156 77 77 157 69 69 158 116 116 159 61 61 160 282 282 161 58 58 162 35 35 163 21 21 164 20 20 165 8 8 166 5 5 167 8 8 168 19 19 169 21 21 170 44 44 171 31 31 172 36 36 173 29 29 174 98 98 175 36 36 176 21 21 177 14 14 178 38 38 179 10 10 180 7 7 181 4 4 182 7 7 183 10 10 184 21 21 185 25 25 186 35 35 187 34 34 188 45 45 189 19 19 190 61 61 191 23 23 192 29 29 193 7 7 194 9 9 195 6 6 196 5 5 197 4 4 198 11 11 199 10 10 200 24 24 201 27 27 202 74 74 203 73 73 204 44 44 205 18 18 206 9 9 207 4 4 208 5 5 209 2 2 210 2 2 211 2 2 212 4 4 213 4 4 214 16 16 215 23 23 216 91 91 217 92 92 218 317 317 219 97 97 220 33 33 221 7 7 222 2 2 223 1 1 224 2 2 225 3 3 226 4 4 227 4 4 228 12 12 229 19 19 230 63 63 231 52 52 232 755 755 233 767 767 234 278 278 235 66 66 236 12 12 237 2 2 238 1 1 239 1 1 240 1 1 241 3 3 242 6 6 243 12 12 244 45 45 245 56 56 246 999 999 247 296 296 248 97 97 249 26 26 250 5 5 251 1 1 252 1 1 253 1 1 254 1 1 255 1 1 256 2 2 257 7 7 258 55 55 259 35 35 260 105 105 261 41 41 262 20 20 263 6 6 264 3 3 265 2 2 266 2 2 267 1 1 268 1 1 269 1 1 270 1 1 271 3 3 272 3 3 273 11 11 274 19 19 275 96 96 276 25 25 277 7 7 278 2 2 279 1 1 287 1 1 288 6 6 289 47 47 290 819 819 291 190 190 292 48 48 293 6 6 //

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