ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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$IUPAC: InChI=1S/C15H13F3N2O2/c1-9-14(5-6-20(9)13(21)15(16,17)18)8-19-12-4-3-10(22-2)7-11(12)14/h3-4,7-8H,1,5-6H2,2H3
CH$LINK: INCHIKEY RAEVVXJFQROQDJ-UHFFFAOYSA-N

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
//