MassBank Record: JP001708



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

ACCESSION: JP001708
RECORD_TITLE: DECANEDIOIC ACID DIMETHYL ESTER; 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$NAME: DECANEDIOIC ACID DIMETHYL ESTER CH$NAME: DIMETHYL SEBACATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H22O4 CH$EXACT_MASS: 230.15181 CH$SMILES: COC(=O)CCCCCCCCC(=O)OC CH$IUPAC: InChI=1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-059t-9600000000-17b49b5dff89f090821c PK$NUM_PEAK: 104 PK$PEAK: m/z int. rel.int. 15 1.15 12 29 1.38 14 41 4.25 43 42 1.47 15 43 33.88 339 44 0.37 4 45 1.42 14 54 0.72 7 55 51.64 516 56 4.26 43 57 5.54 55 59 19.2 192 60 0.4 4 67 5.93 59 68 4.61 46 69 23.96 240 70 4.1 41 71 2.04 20 72 0.37 4 73 6.59 66 74 99.99 999 75 7.56 76 76 0.51 5 79 3.02 30 80 5.46 55 81 9.13 91 82 6.27 63 83 41.22 412 84 73.08 731 85 5.25 53 86 0.39 4 87 31.34 313 88 3.98 40 91 0.28 3 93 1.75 18 94 4.53 45 95 6.98 70 96 12.94 129 97 60.52 605 98 92.78 928 99 8.57 86 100 8.64 86 101 11.41 114 102 1.26 13 104 1.15 12 105 0.6 6 106 1.72 17 107 5.74 57 108 0.78 8 109 2.89 29 110 9.47 95 111 11.28 113 112 8.64 86 113 3.36 34 114 3.03 30 115 11.22 112 116 1.16 12 119 1.27 13 120 3.41 34 121 11.69 117 122 2.67 27 123 2.72 27 124 10.38 104 125 82.91 829 126 7.29 73 127 2.31 23 128 1.2 12 129 1.58 16 130 1.24 12 131 0.42 4 137 2.64 26 138 41.03 410 139 19.72 197 140 2.23 22 141 0.87 9 142 2.05 21 143 0.77 8 144 4.92 49 145 0.43 4 147 0.6 6 148 6.62 66 149 2.39 24 150 0.15 2 151 0.91 9 154 1.69 17 155 1 10 156 2.09 21 157 60 600 158 6.39 64 159 0.45 5 165 1.03 10 166 35.36 354 167 5.29 53 168 0.58 6 169 0.17 2 170 4.07 41 171 1.16 12 172 0.17 2 180 0.9 9 198 3.23 32 199 41.3 413 200 4.92 49 201 0.41 4 231 0.53 5 //