MassBank Record: JP000326



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

ACCESSION: JP000326
RECORD_TITLE: CAUCALOL DIACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: CAUCALOL DIACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H30O5 CH$EXACT_MASS: 338.20932 CH$SMILES: CC(=O)OC([H])(C2)C(C)(C)C([H])(OC(C)=O)C([H])=C(C)CCC([H])(O1)C(C)(C2)1 CH$IUPAC: InChI=1S/C19H30O5/c1-12-7-8-16-19(6,24-16)10-9-15(22-13(2)20)18(4,5)17(11-12)23-14(3)21/h11,15-17H,7-10H2,1-6H3/b12-11-/t15-,16-,17-,19-/m0/s1
AC$INSTRUMENT: HITACHI RMU-6D AC$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$SPLASH: splash10-0apl-9600000000-fc6fb1a4523c5a527c84 PK$NUM_PEAK: 164 PK$PEAK: m/z int. rel.int. 41 23 230 42 2.5 25 43 99.99 999 44 0.2 2 45 3 30 50 2.5 25 51 8 80 52 0.05 1 53 9 90 54 7 70 55 78 780 56 0.09 1 57 19.5 195 58 2.5 25 59 4.5 45 60 0.75 8 61 3.5 35 62 1 10 63 2.5 25 64 0.15 2 65 13 130 66 5 50 67 42 420 68 1.08 11 69 47.5 475 70 6.5 65 71 22 220 72 0.85 9 73 2 20 74 0.5 5 75 1.5 15 76 0.01 0 77 26 260 78 12 120 79 35.5 355 80 1.55 16 81 54.5 545 82 33.5 335 83 33 330 84 3.05 31 85 17.5 175 87 1 10 89 1 10 90 0.29 3 91 7.5 75 92 34.5 345 93 12.8 128 94 3.35 34 95 12.5 125 96 25 250 97 5 50 99 0.45 5 100 3.5 35 101 3 30 102 1 10 103 0.05 1 104 1.5 15 105 22.5 225 106 8 80 107 0.42 4 109 78 780 110 17.5 175 111 23.5 235 112 0.85 9 113 1.5 15 114 3 30 115 5.5 55 116 0.15 2 117 7.5 75 118 4.5 45 119 19 190 120 0.85 9 121 24 240 122 15.5 155 123 15.5 155 124 0.09 1 125 13.5 135 126 11 110 127 1.5 15 128 0.03 0 129 3 30 130 2 20 131 7.5 75 132 0.45 5 133 16 160 134 5 50 135 17.5 175 136 0.12 1 137 10.5 105 138 5.5 55 139 6.5 65 140 0.35 4 141 1.5 15 142 1.5 15 143 3.8 38 144 0.02 0 145 1 10 146 3.5 35 147 23.5 235 148 0.75 8 149 10 100 150 5.5 55 151 8.5 85 152 0.06 1 153 6 60 154 6.5 65 155 2.5 25 156 0.15 2 157 5.3 53 158 2.5 25 159 2 20 160 0.75 8 161 11.5 115 162 6.5 65 163 4 40 164 0.15 2 165 2.5 25 166 1.5 15 167 5.5 55 168 0.15 2 169 1.8 18 170 1 10 171 2 20 172 0.3 3 173 3 30 174 5.5 55 175 17.5 175 176 0.04 0 177 2 20 178 1 10 179 1 10 180 0.08 1 185 6 60 186 0.8 8 187 1 10 188 0.05 1 189 4.5 45 190 4.5 45 191 2 20 192 0.01 0 193 1.5 15 200 4.3 43 201 2.5 25 202 0.07 1 204 1.3 13 206 8.5 85 207 0.7 7 208 0.07 1 209 1.5 15 211 0.7 7 212 0.7 7 216 0.07 1 217 2 20 218 15.7 157 219 5 50 220 0.02 0 221 1.5 15 222 0.8 8 236 4 40 237 0.02 0 238 1 10 278 3.2 32 279 1 10 338 1.5 15 //