MassBank Record: JP001191



 3-BETA-HYDROXY-TETRAHYDROALANTOLACTONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001191
RECORD_TITLE: 3-BETA-HYDROXY-TETRAHYDROALANTOLACTONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAGAKI M, DEPT. OF GENERAL EDUC., HIROSAKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 3-BETA-HYDROXY-TETRAHYDROALANTOLACTONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H24O3 CH$EXACT_MASS: 252.17254 CH$SMILES: [H]C(C)(C3)C(C1)C(C)(CC3)CC([H])(O2)C([H])1C(C)(O)C(=O)2 CH$IUPAC: InChI=1S/C15H24O3/c1-9-5-4-6-14(2)8-12-11(7-10(9)14)15(3,17)13(16)18-12/h9-12,17H,4-8H2,1-3H3/t9-,10?,11-,12+,14+,15-/m0/s1
AC$INSTRUMENT: Unknown AC$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$SPLASH: splash10-0aba-3910000000-bd31c658dfbb48b381f5 PK$NUM_PEAK: 108 PK$PEAK: m/z int. rel.int. 43 13.64 136 44 3.58 36 45 1.61 16 55 3.58 36 56 1.61 16 57 6.7 67 58 1.38 14 59 2.08 21 67 4.39 44 68 4.5 45 69 8.32 83 70 2.77 28 71 2.31 23 74 19.88 199 75 5.54 55 79 3.35 34 80 6.7 67 81 19.53 195 82 13.35 134 83 8.44 84 84 12.25 123 85 4.39 44 91 5.31 53 92 2.08 21 93 23.81 238 94 25.66 257 95 40.69 407 96 48.32 483 97 46.12 461 98 5.55 56 99 1.61 16 105 20.69 207 106 7.63 76 107 25.54 255 108 85.2 852 109 58.84 588 110 10.75 108 111 5.66 57 112 2.77 28 113 2.42 24 117 1.5 15 118 1.96 20 119 22.08 221 120 19.19 192 121 99.99 999 122 43.69 437 123 24.97 250 124 9.48 95 125 10.75 108 126 4.62 46 131 6.35 64 132 1.84 18 133 13.52 135 134 13.17 132 135 20.57 206 136 10.98 110 137 7.05 71 138 21.5 215 139 21.73 217 140 3.23 32 143 10.63 106 144 1.5 15 145 25.08 251 146 3.23 32 147 14.56 146 148 8.78 88 149 13.52 135 150 4.85 49 151 9.94 99 152 5.08 51 153 3.69 37 159 3.35 34 160 15.72 157 161 67.39 674 162 13.41 134 163 3.93 39 164 5.2 52 165 3.93 39 166 10.17 102 167 5.08 51 173 8.43 84 174 1.38 14 175 21.04 210 176 3.12 31 177 8.43 84 178 8.55 86 179 21.61 216 180 4.85 49 189 1.61 16 190 24.39 244 191 5.66 57 192 3.81 38 193 26.93 269 194 8.44 84 195 31.56 316 196 9.82 98 201 1.38 14 205 4.85 49 206 3.12 31 208 89.94 899 209 14.1 141 210 1.38 14 219 25.08 251 220 3.35 34 234 15.95 160 235 2.65 27 252 15.26 153 253 2.66 27 //