ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010682
RECORD_TITLE: T-MUUROLOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: T-MUUROLOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₆O
CH$EXACT_MASS: 222.19837
CH$SMILES: CC(C2)=CC([H])(C([H])(C(C)C)1)C([H])(C2)C(C)(O)CC1
CH$IUPAC: InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14-,15-/m0/s1
CH$LINK: INCHIKEY LHYHMMRYTDARSZ-AJNGGQMLSA-N
CH$LINK: COMPTOX DTXSID10173698

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0nmm-9720000000-d61b008e19718e3ffe74
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
  41 30 300
  42 3 30
  43 80 800
  44 0.3 3
  53 20 200
  54 1.5 15
  55 23 230
  56 0.3 3
  57 6.5 65
  58 21 210
  59 5 50
  65 0.5 5
  67 15 150
  68 4 40
  69 28 280
  70 0.5 5
  71 38 380
  77 16 160
  78 4 40
  79 3.1 31
  80 11 110
  82 35 350
  83 12 120
  91 2.1 21
  92 13 130
  93 29 290
  94 37 370
  95 99.99 999
  96 16 160
  97 5 50
  105 37 370
  106 0.8 8
  107 14 140
  108 19 190
  109 37 370
  110 0.7 7
  111 4 40
  119 25 250
  120 8 80
  121 7.7 77
  122 15 150
  123 12 120
  127 12 120
  133 0.9 9
  134 10 100
  135 11 110
  136 5 50
  137 1.3 13
  138 5 50
  145 5 50
  147 8 80
  148 0.8 8
  149 11 110
  150 6 60
  151 11 110
  152 1.3 13
  161 72 720
  162 14 140
  164 52 520
  165 0.9 9
  179 14 140
  189 14 140
  204 82 820
  205 1.8 18
  207 8 80
  222 31.5 315
  223 7 70
//