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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010098

6-ACETOXY-3,4-DIHYDRO-2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYLTRIDECAN-1-YL)-2H-1-BENZOPYRANE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010098
RECORD_TITLE: 6-ACETOXY-3,4-DIHYDRO-2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYLTRIDECAN-1-YL)-2H-1-BENZOPYRANE; 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$NAME: 6-ACETOXY-3,4-DIHYDRO-2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYLTRIDECAN-1-YL)-2H-1-BENZOPYRANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C31H52O3
CH$EXACT_MASS: 472.39165
CH$SMILES: c(c21)(c(C)c(c(C)c1CCC(C)(O2)CCCC(C)CCCC(C)CCCC(C)C)OC(C)=O)C
CH$IUPAC: InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3
CH$LINK: INCHIKEY ZAKOWWREFLAJOT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20859032

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$SPLASH: splash10-001i-7781900000-34720c5a64f531f3bbd6
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  29 2.31 23
  40 2.6 26
  41 9.79 98
  43 22.29 223
  44 16.18 162
  55 9.43 94
  56 7 70
  57 9.43 94
  67 6.53 65
  69 8.34 83
  71 8.25 83
  81 5.51 55
  83 4.82 48
  85 6.12 61
  91 6.15 62
  95 6.09 61
  97 6.41 64
  121 6.36 64
  135 6.33 63
  136 6.39 64
  149 6.11 61
  164 28.19 282
  165 65.43 654
  166 8.89 89
  177 6.22 62
  189 6.22 62
  203 15.98 160
  204 7.78 78
  205 10.45 105
  207 20.65 207
  208 6.12 61
  245 46.15 462
  246 10.15 102
  247 7.49 75
  279 5.24 52
  281 7.29 73
  283 7.05 71
  323 14.69 147
  325 14.59 146
  430 99.99 999
  431 34.53 345
  432 5.95 60
  472 12.66 127
  473 7.19 72
//

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