ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003658
RECORD_TITLE: SERICENINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: SERICENINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₀O₃
CH$EXACT_MASS: 260.14124
CH$SMILES: COC(=O)C(C2)=CCc(c(C)1)c(CC(C)=CC2)oc1
CH$IUPAC: InChI=1S/C16H20O3/c1-11-5-4-6-13(16(17)18-3)7-8-14-12(2)10-19-15(14)9-11/h5,7,10H,4,6,8-9H2,1-3H3/b11-5-,13-7-
CH$LINK: INCHIKEY JTPNVTVKRKPGBJ-ISWNZBHVSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-0910000000-1b6354556f18e7309b06
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  67 0.1 1
  77 2.8 28
  78 0.1 1
  79 0.01 0
  91 1.9 19
  93 1.5 15
  95 1.3 13
  105 0.29 3
  108 99.99 999
  109 7.2 72
  110 1.4 14
  117 0.11 1
  119 2.2 22
  121 1.9 19
  131 0.1 1
  133 0.36 4
  134 1.1 11
  135 2.7 27
  143 1.3 13
  145 0.43 4
  146 1.1 11
  147 1.9 19
  148 0.6 6
  149 0.01 0
  157 1 10
  159 1.7 17
  160 1.1 11
  161 0.49 5
  171 1.1 11
  172 0.1 1
  173 1.4 14
  185 0.12 1
  191 0.1 1
  192 6.6 66
  193 0.1 1
  200 0.19 2
  201 3.5 35
  202 1.1 11
  205 1.7 17
  228 0.12 1
  229 1.7 17
  260 16.4 164
  261 2.7 27
//