ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010685
RECORD_TITLE: LIGULOXIDE; 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$NAME: LIGULOXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₆O
CH$EXACT_MASS: 222.19837
CH$SMILES: CC(C2)C([H])(C3)C(C(C)C3)(C1)OC(C)(C)C(C2)1
CH$IUPAC: InChI=1S/C15H26O/c1-10-5-7-12-9-15(16-14(12,3)4)11(2)6-8-13(10)15/h10-13H,5-9H2,1-4H3/t10-,11+,12+,13+,15-/m0/s1
CH$LINK: INCHIKEY GXMJXGUEPXEOGR-BGPZULBFSA-N

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$SPLASH: splash10-0a4i-9830000000-c450c7e8908125813282
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  41 35 350
  42 9 90
  43 26 260
  53 1.2 12
  54 4 40
  55 39 390
  56 6 60
  57 0.7 7
  59 4 40
  65 4.5 45
  67 21 210
  68 1 10
  69 27 270
  70 5 50
  71 9 90
  77 0.8 8
  79 15 150
  80 7 70
  81 40 400
  82 1.3 13
  83 12 120
  84 4 40
  91 11 110
  92 0.4 4
  93 18 180
  94 11.5 115
  95 32 320
  96 0.8 8
  97 9.5 95
  98 4 40
  105 10 100
  106 0.4 4
  107 23 230
  108 18 180
  109 30 300
  110 1.2 12
  111 7 70
  119 12 120
  120 4 40
  121 1.3 13
  122 12 120
  123 13 130
  124 12 120
  125 1.3 13
  126 12.5 125
  133 9 90
  135 11 110
  136 0.5 5
  137 32 320
  138 6 60
  139 4 40
  147 0.6 6
  149 28 280
  150 6 60
  151 9 90
  161 0.9 9
  163 8 80
  164 20 200
  165 6 60
  173 0.4 4
  179 5 50
  189 37 370
  190 7 70
  204 0.5 5
  207 99.99 999
  208 16 160
  221 3 30
  222 14 140
//