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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005798

(1R-(1ALPHA,2BETA,5ALPHA))-5-METHYL-2-(1-M; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005798
RECORD_TITLE: (1R-(1ALPHA,2BETA,5ALPHA))-5-METHYL-2-(1-M; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: (1R-(1ALPHA,2BETA,5ALPHA))-5-METHYL-2-(1-M
CH$NAME: ETHYLETHENYL)CYCLOHEXANOLISO-PULEGOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O
CH$EXACT_MASS: 154.13577
CH$SMILES: CC(=C)C([H])(C1)C([H])(O)CC([H])(C)C1
CH$IUPAC: InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1
CH$LINK: CAS 89-79-2
CH$LINK: INCHIKEY ZYTMANIQRDEHIO-KXUCPTDWSA-N
CH$LINK: COMPTOX DTXSID90110001

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$SPLASH: splash10-06di-9200000000-2ce50fb75d3deb9eb8e7
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  51 1.7 17
  52 10.22 102
  53 5.56 56
  54 38.71 387
  55 8.83 88
  56 88.46 885
  57 62.7 627
  58 4.71 47
  63 2.49 25
  64 1.05 11
  65 10.87 109
  66 5.9 59
  67 80.68 807
  68 90.59 906
  69 98.43 984
  70 26.27 263
  71 89.06 891
  72 9.71 97
  73 2.32 23
  77 24.05 241
  78 4.6 46
  79 60.15 602
  80 30.78 308
  81 99.99 999
  82 20.7 207
  83 36.52 365
  84 59.95 600
  85 17.09 171
  86 2.1 21
  91 20.93 209
  92 16.87 169
  93 85.08 851
  94 29.33 293
  95 54.35 544
  96 12.07 121
  97 33.05 331
  98 23.43 234
  99 5.05 51
  103 1.53 15
  104 0.93 9
  105 8.32 83
  106 2.69 27
  107 34.59 346
  108 10.3 103
  109 25.24 252
  110 28.34 283
  111 38.68 387
  112 20.93 209
  113 2.13 21
  115 1.67 17
  117 2.27 23
  119 5.87 59
  120 1.53 15
  121 84.03 840
  122 8.46 85
  123 8.88 89
  124 1.39 14
  125 2.55 26
  132 1.44 14
  134 1.76 18
  135 1.56 16
  136 54.21 542
  137 5.9 59
  139 19.82 198
  140 1.9 19
  145 1.22 12
  154 15.33 153
  155 2.27 23
//

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