MassBank MassBank Search Contents Download

MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008001

(1R,4AS,5S,8AS)-(-)-5BETA,8ABETA-DIMETHYL-1BETA,2-DIFORMYL-5ALPHA-(4-METHYL-3-PENTENYL)-1,4,4A,5,6,7,8,8AALPHA-OCTAHYDRONAPHTHALENE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008001
RECORD_TITLE: (1R,4AS,5S,8AS)-(-)-5BETA,8ABETA-DIMETHYL-1BETA,2-DIFORMYL-5ALPHA-(4-METHYL-3-PENTENYL)-1,4,4A,5,6,7,8,8AALPHA-OCTAHYDRONAPHTHALENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (1R,4AS,5S,8AS)-(-)-5BETA,8ABETA-DIMETHYL-1BETA,2-DIFORMYL-5ALPHA-(4-METHYL-3-PENTENYL)-1,4,4A,5,6,7,8,8AALPHA-OCTAHYDRONAPHTHALENE
CH$NAME: SACCULATAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H30O2
CH$EXACT_MASS: 302.22458
CH$SMILES: CC(C)=CCCC(C)(C2)C([H])(C1)C(C)(CC2)C([H])(C=O)C(C=O)=C([H])1
CH$IUPAC: InChI=1S/C20H30O2/c1-15(2)7-5-10-19(3)11-6-12-20(4)17(14-22)16(13-21)8-9-18(19)20/h7-8,13-14,17-18H,5-6,9-12H2,1-4H3/t17-,18-,19+,20+/m0/s1
CH$LINK: INCHIKEY CJRSLLMDIKKFIM-VNTMZGSJSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0a4l-9620000000-eca24b0ce901a3dcf271
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
  31 33.59 336
  39 9.06 91
  41 99.45 995
  43 38.61 386
  45 16.53 165
  53 13.46 135
  55 54.51 545
  57 7.37 74
  59 22.89 229
  61 5 50
  65 7.43 74
  67 26.82 268
  68 5.38 54
  69 99.99 999
  70 11.55 116
  71 7.29 73
  73 5.16 52
  74 15.91 159
  77 17.4 174
  79 24.17 242
  81 34.82 348
  82 9.89 99
  83 17.75 178
  91 46.99 470
  92 6.89 69
  93 28.75 288
  94 6.62 66
  95 30.53 305
  96 10.08 101
  97 12.92 129
  99 11.41 114
  105 39.63 396
  106 7.99 80
  107 27.24 272
  108 9.45 95
  109 34.98 350
  110 8.64 86
  119 9.95 100
  120 5.53 55
  121 5.33 53
  122 14.41 144
  123 14.49 145
  131 13.31 133
  133 23.29 233
  134 27.16 272
  135 26.86 269
  136 8.29 83
  137 10.47 105
  145 12.19 122
  147 20.05 201
  148 9.48 95
  149 13.18 132
  150 5.3 53
  159 8.91 89
  161 17.07 171
  162 5.54 55
  163 12.82 128
  173 9.73 97
  174 17.34 173
  175 11.73 117
  176 7.06 71
  177 17.15 172
  189 20.38 204
  190 14.02 140
  191 13.09 131
  192 12.46 125
  203 6.85 69
  231 49.37 494
  232 9.24 92
  259 91.26 913
  260 17.96 180
  274 0.5 5
  275 10.4 104
//

system version 2.2.5
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo