MassBank MassBank Search Contents Download

MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-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: MSBNK-Fac_Eng_Univ_Tokyo-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
  53 9.86 99
  55 28.82 288
  57 5.74 57
  58 74.3 743
  67 16.79 168
  68 5.01 50
  69 52.06 521
  77 8.55 86
  79 11.29 113
  81 21.81 218
  82 6.44 64
  83 17.25 173
  91 11.19 112
  93 13.94 139
  95 13.54 135
  97 6.22 62
  105 7.7 77
  107 13.07 131
  108 5.86 59
  109 37 370
  110 6.55 66
  121 13.19 132
  122 10.14 101
  123 15.82 158
  133 7.58 76
  134 5.29 53
  135 14.65 147
  136 10.85 109
  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
  163 15.62 156
  164 5.07 51
  175 17.59 176
  176 6.36 64
  177 12.04 120
  189 16.75 168
  191 7.88 79
  192 5.05 51
  203 5.25 53
  245 30.92 309
  246 5.82 58
  260 7.62 76
  273 29.08 291
  274 6.14 61
  288 12.05 121
//

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