MassBank Record: JP000327



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

ACCESSION: JP000327
RECORD_TITLE: ISOCAUCALOL; 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$NAME: ISOCAUCALOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H26O3 CH$EXACT_MASS: 254.18819 CH$SMILES: CC(C1)=C([H])C(O)C(C)(C)C(C2)OC(C)(C2)C(O)C1 CH$IUPAC: InChI=1S/C15H26O3/c1-10-5-6-11(16)15(4)8-7-13(18-15)14(2,3)12(17)9-10/h9,11-13,16-17H,5-8H2,1-4H3/b10-9-
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$SPLASH: splash10-0006-9200000000-580a290ba7b9906ee687 PK$NUM_PEAK: 112 PK$PEAK: m/z int. rel.int. 41 70 700 42 14 140 43 99.99 999 44 0.9 9 45 5.5 55 51 1.5 15 52 0.5 5 53 0.01 0 54 1.5 15 55 25 250 56 9 90 57 1.15 12 58 2 20 59 2 20 60 0.5 5 62 0.01 0 63 0.1 1 65 2 20 66 1 10 67 0.65 7 68 3 30 69 24.5 245 70 4 40 71 0.15 2 72 2 20 73 3.8 38 74 1 10 75 0.05 1 77 3.5 35 78 1 10 79 4.5 45 80 0.25 3 81 14 140 82 6.3 63 83 17 170 84 0.37 4 85 7 70 86 2 20 87 2.5 25 88 0.01 0 89 0.5 5 91 3.5 35 92 1 10 93 0.65 7 94 3 30 95 8 80 96 2.5 25 97 0.95 10 98 4.5 45 99 3 30 101 8.5 85 102 0.05 1 105 1.5 15 107 6 60 108 6.5 65 109 0.29 3 110 18 180 111 8.5 85 112 1.3 13 113 0.16 2 115 0.5 5 117 0.8 8 118 0.5 5 119 0.02 0 120 0.8 8 121 5.5 55 122 3 30 124 0.15 2 125 6.5 65 126 6 60 127 11.5 115 128 0.18 2 129 0.8 8 130 0.3 3 131 0.3 3 132 0.05 1 133 1 10 134 3 30 135 2.5 25 136 0.28 3 137 2 20 138 0.8 8 139 2.5 25 140 0.08 1 141 0.5 5 142 0.5 5 143 0.5 5 144 0.05 1 145 0.5 5 147 1.3 13 148 0.5 5 149 0.15 2 151 1 10 152 0.8 8 153 2 20 154 0.28 3 155 0.7 7 159 0.5 5 160 1 10 161 0.01 0 163 0.8 8 164 0.7 7 165 2.3 23 167 0.07 1 171 1 10 175 1 10 179 1 10 191 0.17 2 218 1.5 15 236 4.5 45 237 1 10 254 1 10 //