MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000756
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
//