ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010080
RECORD_TITLE: 3,4-DIHYDRO-2-(4-BENZYL-1-PIPERADYL)-ETHYL-6-HYDROXY-2,5,7,8-TETRAMETHYL-2H-1-BENZOPYRAN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 3,4-DIHYDRO-2-(4-BENZYL-1-PIPERADYL)-ETHYL-6-HYDROXY-2,5,7,8-TETRAMETHYL-2H-1-BENZOPYRAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C26H36N2O2
CH$EXACT_MASS: 408.27768
CH$SMILES: C(C3)C(Oc(c4C)c3c(c(c4C)O)C)(C)CCN(C2)CCN(C2)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C26H36N2O2/c1-19-20(2)25-23(21(3)24(19)29)10-11-26(4,30-25)12-13-27-14-16-28(17-15-27)18-22-8-6-5-7-9-22/h5-9,29H,10-18H2,1-4H3
CH$LINK: INCHIKEY BXQIFMPEGGKVBU-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-000l-6920100000-947e673e34ad234d7d0b
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  42 6.72 67
  43 4.95 50
  44 4.74 47
  56 3.94 39
  58 3.27 33
  70 13.51 135
  91 36.56 366
  92 2.77 28
  97 6.28 63
  98 4.95 50
  99 3.03 30
  146 5.64 56
  161 4.79 48
  165 5.73 57
  175 2.48 25
  189 99.99 999
  190 14.89 149
  203 6.98 70
  205 9.74 97
  220 3.39 34
  245 3.66 37
  262 4.56 46
  277 3.08 31
  408 19.03 190
  409 5.17 52
//
