MassBank Record: JP000756



 6-HYDROXYMETHYL-1-METHOXY-2-OXATRICYCLO(5.2.1.0(4,10))DECANE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //