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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008000

(2XI,4AS,5S,8AS)-(+)-5BETA,8ABETA-DIMETHYL2-FORMYL-5ALPHA-(4-METYL-3-PENTENYL)-3,4,4AALPHA,5,6,7,8,8A-OCTAHYDRONAPHTHALEN-1(2H)-ONE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008000
RECORD_TITLE: (2XI,4AS,5S,8AS)-(+)-5BETA,8ABETA-DIMETHYL2-FORMYL-5ALPHA-(4-METYL-3-PENTENYL)-3,4,4AALPHA,5,6,7,8,8A-OCTAHYDRONAPHTHALEN-1(2H)-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$NAME: (2XI,4AS,5S,8AS)-(+)-5BETA,8ABETA-DIMETHYL2-FORMYL-5ALPHA-(4-METYL-3-PENTENYL)-3,4,4AALPHA,5,6,7,8,8A-OCTAHYDRONAPHTHALEN-1(2H)-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H30O2
CH$EXACT_MASS: 290.22458
CH$SMILES: CC(C)=CCCC(C)(C2)C([H])(C1)C(C)(CC2)C(=O)C(C=O)C1
CH$IUPAC: InChI=1S/C19H30O2/c1-14(2)7-5-10-18(3)11-6-12-19(4)16(18)9-8-15(13-20)17(19)21/h7,13,15-16H,5-6,8-12H2,1-4H3/t15?,16-,18+,19-/m0/s1
CH$LINK: INCHIKEY DBOUDQHWPFHKMO-ATQPIAHYSA-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$SPLASH: splash10-0006-9300000000-e765ce4fb2600aee0f44
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  32 14.87 149
  37 1.17 12
  38 1.19 12
  39 0.34 3
  40 1.63 16
  41 12.08 121
  42 7.42 74
  43 99.99 999
  44 2.28 23
  45 2.64 26
  53 1.19 12
  55 4.66 47
  56 1 10
  57 3.81 38
  58 41.13 411
  59 1.11 11
  61 2.64 26
  67 4.49 45
  69 6.39 64
  70 3.62 36
  81 6.15 62
  82 1.06 11
  83 3.12 31
  88 1.22 12
  91 1.39 14
  93 2 20
  95 5.65 57
  97 1.84 18
  107 1.11 11
  109 5.04 50
  111 1.34 13
  112 2.26 23
  120 1.72 17
  121 1.31 13
  123 3.18 32
  125 3.37 34
  135 1.89 19
  136 2.77 28
  137 4.12 41
  138 18.88 189
  139 4.86 49
  140 1.84 18
  149 2.33 23
  150 3.04 30
  151 1.73 17
  152 4.62 46
  161 2.33 23
  162 1.18 12
  163 3.25 33
  164 1.33 13
  165 2.17 22
  177 2.52 25
  179 1.09 11
  187 1.3 13
  189 1.43 14
  193 2.66 27
  205 1.28 13
  206 1.02 10
  207 1.75 18
  275 1.35 14
  290 9.18 92
  291 2.44 24
//

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