MassBank Record: JP002405



 2,3-EPOXYGERANYL ACETATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002405
RECORD_TITLE: 2,3-EPOXYGERANYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 2,3-EPOXYGERANYL ACETATE CH$NAME: 2,3-EPOXY-3,7-DIMETHYL-6-OCTENYL ACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H20O3 CH$EXACT_MASS: 212.14124 CH$SMILES: CC(C)=CCCC(C)(O1)C(COC(C)=O)1 CH$IUPAC: InChI=1S/C12H20O3/c1-9(2)6-5-7-12(4)11(15-12)8-14-10(3)13/h6,11H,5,7-8H2,1-4H3
AC$INSTRUMENT: JEOL JMS-D-3000 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: splash10-00l6-9200000000-c906ee74e7526368b247 PK$NUM_PEAK: 81 PK$PEAK: m/z int. rel.int. 42 53.84 538 43 78.17 782 45 7.76 78 50 1.15 12 51 3.35 34 52 1.56 16 53 9.89 99 54 3.35 34 55 21.97 220 56 3.09 31 57 2.26 23 59 4.04 40 60 7.55 76 61 3.23 32 63 1.68 17 65 4.4 44 66 1.89 19 67 31.16 312 68 9.01 90 69 76.35 764 70 19.41 194 71 7.78 78 72 1.98 20 73 1.63 16 77 7.8 78 78 2.4 24 79 10.15 102 80 3.07 31 81 14.7 147 82 99.99 999 83 16.93 169 84 5.11 51 85 2 20 87 1.84 18 88 18.6 186 89 1.49 15 91 16.4 164 92 4.67 47 93 8.64 86 94 4.74 47 95 7.51 75 96 2.07 21 97 2.75 28 101 3.28 33 103 2.98 30 104 1.33 13 105 6.34 63 106 2.49 25 107 4.53 45 108 2.75 28 109 17.58 176 110 4 40 111 3.07 31 112 1.31 13 113 1.26 13 115 3.16 32 116 1.22 12 117 5.04 50 118 1 10 119 20.16 202 120 2.54 25 121 8.69 87 122 2.3 23 123 2.38 24 124 1.42 14 128 1.33 13 129 1.49 15 130 15.88 159 131 2.31 23 132 3.37 34 133 1.77 18 134 13.89 139 135 3.02 30 137 2.6 26 139 3.74 37 143 1.38 14 148 1.05 11 150 1.75 18 152 8.11 81 153 1.14 11 212 0.26 3 //