MassBank Record: JP008658



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

ACCESSION: JP008658
RECORD_TITLE: GERANIAL DIMETHYL ACETAL; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: GERANIAL DIMETHYL ACETAL CH$NAME: TRANS-3,7-DIMETHYL-2,6-OCTADIENAL DIMETHYLACETAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H22O2 CH$EXACT_MASS: 198.16198 CH$SMILES: COC(OC)C=C(C)CCC=C(C)C CH$IUPAC: InChI=1S/C12H22O2/c1-10(2)7-6-8-11(3)9-12(13-4)14-5/h7,9,12H,6,8H2,1-5H3/b11-9+ CH$LINK: INCHIKEY ZSKAJFSSXURRGL-PKNBQFBNSA-N
AC$INSTRUMENT: HITACHI M-80B AC$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$SPLASH: splash10-00xu-9200000000-39059b47f392d0dbcad5 PK$NUM_PEAK: 80 PK$PEAK: m/z int. rel.int. 15 10.16 102 27 19.52 195 29 21.7 217 30 1.57 16 31 20.84 208 32 1.1 11 38 1.17 12 39 32.04 320 40 3.49 35 41 99.99 999 42 4.06 41 43 11.55 116 45 28.34 283 47 2.04 20 50 1.45 15 51 5.12 51 52 2.65 27 53 22.93 229 54 3.96 40 55 20.26 203 56 1.39 14 57 1.47 15 58 1.68 17 59 4.44 44 63 1.28 13 65 8.01 80 66 2.35 24 67 15.85 159 68 3.23 32 69 90.46 905 70 3.57 36 71 5.44 54 73 53.08 531 74 2.08 21 75 27.58 276 77 11.65 117 78 2.34 23 79 12.82 128 80 3.26 33 81 7.32 73 82 3.23 32 83 25.9 259 84 2.16 22 85 5.76 58 86 26.41 264 87 2.24 22 91 22.14 221 92 3.37 34 93 14.39 144 94 2.28 23 95 4.46 45 96 1.21 12 97 2.62 26 98 25.15 252 99 4.84 48 103 1.29 13 105 5.34 53 106 1.58 16 107 4.98 50 108 3.46 35 109 7.08 71 110 3.25 33 111 4.19 42 115 4.44 44 117 1.43 14 119 17.23 172 120 1.81 18 121 4.43 44 122 1.14 11 123 67.66 677 124 5.24 52 125 1.62 16 129 5.18 52 134 3.45 35 135 3.33 33 136 1.04 10 137 1.33 13 151 8.08 81 166 8.75 88 167 5.38 54 //