MassBank Record: JP001886



 5-METHOXYINDOLE-3-SPIRO-3'-N-TRIFLUOROACETYL-2'-METHYLENEPYRROLIDINE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001886
RECORD_TITLE: 5-METHOXYINDOLE-3-SPIRO-3'-N-TRIFLUOROACETYL-2'-METHYLENEPYRROLIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SEYAMA Y, DEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO
LICENSE: CC BY-NC-SA

CH$NAME: 5-METHOXYINDOLE-3-SPIRO-3'-N-TRIFLUOROACETYL-2'-METHYLENEPYRROLIDINE CH$NAME: TRIFLUOROACETYL DERIVATIVE OF MELATONIN CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H13F3N2O2 CH$EXACT_MASS: 310.09291 CH$SMILES: COc(c3)cc(c(c3)2)C(C=N2)(C1)C(=C)N(C1)C(=O)C(F)(F)F CH$IUPAC: InChI=1S/C15H13F3N2O2/c1-9-14(5-6-20(9)13(21)15(16,17)18)8-19-12-4-3-10(22-2)7-11(12)14/h3-4,7-8H,1,5-6H2,2H3
AC$INSTRUMENT: SHIMADZU LKB-9000B AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03di-2926000000-6c7037f915a5e3952519 PK$NUM_PEAK: 83 PK$PEAK: m/z int. rel.int. 39 1.7 17 40 1.8 18 44 1.9 19 50 1.2 12 51 2.8 28 52 1.4 14 53 1 10 54 6 60 62 1.2 12 63 3.9 39 64 1.2 12 65 1.3 13 69 7 70 74 1 10 75 2.4 24 76 1.5 15 77 5.4 54 80 1 10 88 1.4 14 89 3.5 35 90 1.1 11 101 2.2 22 102 2.9 29 103 3.9 39 114 1.9 19 115 7.2 72 116 4.1 41 117 1.7 17 120 4.4 44 127 2.5 25 128 3.2 32 129 2 20 130 5.2 52 131 1 10 140 1.9 19 141 3.8 38 142 4.3 43 143 4.7 47 144 3.1 31 145 1.9 19 153 1.1 11 154 3.6 36 155 3.9 39 156 2.1 21 158 6.5 65 159 3.3 33 160 2.5 25 166 1.5 15 167 1.1 11 168 1.4 14 169 7.7 77 170 12.6 126 171 3.1 31 172 2.9 29 173 3.9 39 181 2.1 21 182 3.9 39 183 2.4 24 184 10.3 103 185 6.8 68 186 23.8 238 187 3.4 34 196 2.3 23 197 3.6 36 198 11.8 118 199 2.4 24 211 2.1 21 212 3.2 32 213 27.4 274 214 5.3 53 226 1.1 11 241 6.9 69 242 1.1 11 267 3.3 33 279 1.7 17 282 1.7 17 291 1.9 19 295 5.1 51 296 1.4 14 309 12.1 121 310 99.99 999 311 18.9 189 312 2 20 //