ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009339
RECORD_TITLE: 1,4,4A,5,6,7,8,8A-OCTAHYDRO-4A-METHYL-2(3H)-NAPHTHALENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 1,4,4A,5,6,7,8,8A-OCTAHYDRO-4A-METHYL-2(3H)-NAPHTHALENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H18O
CH$EXACT_MASS: 166.13577
CH$SMILES: O=C(C1)CC(C2)C(C)(CCC2)C1
CH$IUPAC: InChI=1S/C11H18O/c1-11-6-3-2-4-9(11)8-10(12)5-7-11/h9H,2-8H2,1H3
CH$LINK: INCHIKEY QAFCUHJMKAQBFU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30917915
AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-014m-9200000000-93d919e3c9293fdd603d
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  15 2.3 23
  26 2.6 26
  27 44.4 444
  28 1.48 15
  29 33.9 339
  38 2.2 22
  39 54.2 542
  40 1.2 12
  41 99.99 999
  42 7.4 74
  43 10.1 101
  50 0.31 3
  51 9.3 93
  52 7.1 71
  53 34.8 348
  54 1.64 16
  55 65 650
  56 10.3 103
  57 11.5 115
  63 0.25 3
  65 9.5 95
  66 6.6 66
  67 68.9 689
  68 3.17 32
  69 52.5 525
  70 6.3 63
  71 6.3 63
  77 1.34 13
  78 3.2 32
  79 21 210
  80 7 70
  81 5.75 58
  82 17 170
  83 7.7 77
  84 25.8 258
  85 0.28 3
  91 9.3 93
  92 3 30
  93 18.8 188
  94 3.95 40
  95 64.4 644
  96 35.3 353
  97 12 120
  98 1.28 13
  105 3.6 36
  106 1.5 15
  107 6.1 61
  109 5.7 57
  110 22.4 224
  111 53 530
  112 4.9 49
  119 0.27 3
  122 9.3 93
  123 13 130
  124 5.8 58
  133 0.72 7
  137 12.6 126
  138 3.2 32
  148 4.5 45
  151 0.95 10
  166 60.5 605
  167 7.6 76
//
