MassBank Record: JP009944



 BENZYL METHYL 4-METHYL-4-OCTENEDIOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP009944
RECORD_TITLE: BENZYL METHYL 4-METHYL-4-OCTENEDIOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: BENZYL METHYL 4-METHYL-4-OCTENEDIOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H22O4 CH$EXACT_MASS: 290.15181 CH$SMILES: COC(=O)CCC=C(C)CCC(=O)OCc(c1)cccc1 CH$IUPAC: InChI=1S/C17H22O4/c1-14(7-6-10-16(18)20-2)11-12-17(19)21-13-15-8-4-3-5-9-15/h3-5,7-9H,6,10-13H2,1-2H3/b14-7+ CH$LINK: INCHIKEY JLDIJNJHXGCWNE-VGOFMYFVSA-N
AC$INSTRUMENT: JEOL JMS-D-300 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: splash10-0006-9400000000-2bf00f770440935d9bb0 PK$NUM_PEAK: 83 PK$PEAK: m/z int. rel.int. 27 1.6 16 28 0.8 8 29 1.6 16 39 0.31 3 40 0.5 5 41 5 50 42 0.5 5 43 0.73 7 44 0.5 5 45 0.5 5 51 0.8 8 53 0.23 2 55 4.7 47 59 3.3 33 63 0.8 8 65 0.66 7 66 0.5 5 67 4.4 44 68 3.3 33 69 0.05 1 71 1.6 16 77 2.8 28 78 0.5 5 79 0.66 7 80 1.1 11 81 6.6 66 82 2.7 27 83 0.05 1 85 0.8 8 87 0.5 5 89 1.6 16 90 0.16 2 91 99.99 999 92 10.5 105 93 15.6 156 94 0.17 2 95 3.1 31 97 3 30 99 1.9 19 104 0.05 1 105 0.8 8 107 3.1 31 108 0.8 8 110 0.34 3 111 2.3 23 117 0.5 5 120 0.5 5 121 3.47 35 122 4 40 123 1.7 17 125 4.7 47 126 0.05 1 127 0.5 5 139 4.2 42 140 0.5 5 143 0.2 2 148 0.8 8 149 39.8 398 150 4.2 42 151 0.33 3 152 0.8 8 153 0.8 8 154 0.8 8 156 0.11 1 157 1.6 16 167 2 20 176 1.1 11 181 0.63 6 199 16.4 164 200 1.6 16 212 0.4 4 216 0.17 2 217 0.5 5 230 1.2 12 231 0.4 4 240 0.1 1 241 0.9 9 242 0.3 3 244 0.2 2 258 0.09 1 259 0.4 4 272 0.2 2 273 0.4 4 //