ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000756
RECORD_TITLE: 6-HYDROXYMETHYL-1-METHOXY-2-OXATRICYCLO(5.2.1.0(4,10))DECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 6-HYDROXYMETHYL-1-METHOXY-2-OXATRICYCLO(5.2.1.0(4,10))DECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₈O₃
CH$EXACT_MASS: 198.12559
CH$SMILES: OCC(C3)C(C1)C(C23)C(OC)(OC2)C1
CH$IUPAC: InChI=1S/C11H18O3/c1-13-11-3-2-9-7(5-12)4-8(6-14-11)10(9)11/h7-10,12H,2-6H2,1H3
CH$LINK: INCHIKEY QNFPXFUJNCJJHW-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 13.5 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00kb-1900000000-591bcdd8d437d58d8a9a
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  55 2.5 25
  66 2.5 25
  74 6 60
  75 0.23 2
  79 3.5 35
  80 2 20
  81 2.2 22
  82 0.24 2
  83 5.3 53
  84 3.2 32
  87 3 30
  91 0.22 2
  92 2.4 24
  93 10.5 105
  94 9 90
  95 0.59 6
  96 6 60
  97 18.3 183
  98 7.1 71
  99 2.66 27
  100 2.4 24
  105 3.7 37
  106 15.7 157
  107 2.6 26
  108 4.7 47
  109 9.8 98
  110 14.4 144
  111 0.19 2
  112 3.1 31
  113 2.2 22
  114 10.5 105
  115 4.11 41
  116 7.1 71
  120 4.3 43
  121 14.2 142
  122 0.59 6
  123 3.4 34
  124 3.4 34
  127 2.5 25
  129 0.82 8
  136 2.5 25
  137 9.5 95
  138 16 160
  139 1.3 13
  140 5.9 59
  141 26.9 269
  142 4.3 43
  149 0.3 3
  150 2.4 24
  151 3 30
  152 2.2 22
  153 0.33 3
  154 3.6 36
  155 5.9 59
  165 2.7 27
  166 1.76 18
  167 39.4 394
  168 10.3 103
  169 39.4 394
  170 0.63 6
  180 2.7 27
  181 3.4 34
  183 2.2 22
  198 99.99 999
  199 10.1 101
//