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MassBank Record: JP007999

(4AS,5S,8AS)-(+)-5BETA,8ABETA-DIMETHYL-2-FORMYL-5ALPHA-(4-METHYL-3-PENTENYL)-4A,5,6,7,8,8A-HEXAHYDRONAPHTHALEN-1(4H)-ONE; EI-B; MS

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

ACCESSION: JP007999
RECORD_TITLE: (4AS,5S,8AS)-(+)-5BETA,8ABETA-DIMETHYL-2-FORMYL-5ALPHA-(4-METHYL-3-PENTENYL)-4A,5,6,7,8,8A-HEXAHYDRONAPHTHALEN-1(4H)-ONE; 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$NAME: (4AS,5S,8AS)-(+)-5BETA,8ABETA-DIMETHYL-2-FORMYL-5ALPHA-(4-METHYL-3-PENTENYL)-4A,5,6,7,8,8A-HEXAHYDRONAPHTHALEN-1(4H)-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H28O2
CH$EXACT_MASS: 288.20893
CH$SMILES: CC(C)=CCCC(C)(C2)C([H])(C1)C(C)(CC2)C(=O)C(C=O)=C([H])1
CH$IUPAC: InChI=1S/C19H28O2/c1-14(2)7-5-10-18(3)11-6-12-19(4)16(18)9-8-15(13-20)17(19)21/h7-8,13,16H,5-6,9-12H2,1-4H3/t16-,18+,19?/m0/s1
CH$LINK: INCHIKEY OJVMWXAYNQWVOS-CXEJCQMISA-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$SPLASH: splash10-052f-9610000000-d360c765c0268ab0d880
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  32 10.05 101
  39 11.89 119
  41 53.15 532
  42 12.75 128
  43 99.99 999
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  81 21.81 218
  82 6.44 64
  83 17.25 173
  91 11.19 112
  93 13.94 139
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  135 14.65 147
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  137 22.41 224
  138 17.44 174
  147 0.09 1
  149 17.59 176
  150 22.6 226
  151 7.1 71
  159 6.89 69
  161 12.52 125
  162 18.65 187
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  175 17.59 176
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  189 16.75 168
  191 7.88 79
  192 5.05 51
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  245 30.92 309
  246 5.82 58
  260 7.62 76
  273 29.08 291
  274 6.14 61
  288 12.05 121
//

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