MassBank Record: JP001721



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

ACCESSION: JP001721
RECORD_TITLE: NONANEDIOIC 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$NAME: NONANEDIOIC ACID DIMETHYL ESTER CH$NAME: DIMETHYL AZELATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H20O4 CH$EXACT_MASS: 216.13616 CH$SMILES: COC(=O)CCCCCCCC(=O)OC CH$IUPAC: InChI=1S/C11H20O4/c1-14-10(12)8-6-4-3-5-7-9-11(13)15-2/h3-9H2,1-2H3
AC$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$SPLASH: splash10-0h3r-9700000000-efb4b38b27fa69fcc467 PK$NUM_PEAK: 94 PK$PEAK: m/z int. rel.int. 4 2.49 25 15 2.35 24 29 2.08 21 31 0.54 5 41 5.57 56 42 1.97 20 43 29.95 300 44 1.16 12 45 2.37 24 54 0.98 10 55 57.03 570 56 4.41 44 57 5.38 54 59 22.74 227 60 0.44 4 62 1.28 13 67 4.39 44 68 8.52 85 69 32.85 329 70 3.45 35 71 1.03 10 72 0.47 5 73 5.79 58 74 93.44 934 75 6.23 62 76 0.34 3 79 1.53 15 80 4.27 43 81 7.18 72 82 14.27 143 83 82.87 829 84 49.9 499 85 4.03 40 86 6.6 66 87 31.45 315 88 4.99 50 91 0.24 2 92 1.3 13 93 2.57 26 94 0.24 2 95 3.89 39 96 14.5 145 97 31.92 319 98 25.52 255 99 4.18 42 100 5.53 55 102 1.45 15 105 0.24 2 106 1.14 11 107 4.61 46 108 1.37 14 109 2.24 22 110 10.42 104 111 80.19 802 112 6.6 66 113 3.12 31 114 2.67 27 115 4.57 46 116 1.13 11 123 2.53 25 124 34.87 349 125 25.78 258 126 3.39 34 127 1.68 17 128 8.5 85 129 2.36 24 130 6.03 60 131 0.36 4 133 0.22 2 134 2.5 25 135 3.02 30 136 0.24 2 137 3.74 37 138 0.29 3 140 2.32 23 141 3.11 31 142 3.32 33 143 59.5 595 144 5.61 56 145 0.44 4 151 1.99 20 152 99.99 999 153 13.99 140 154 1.65 17 155 0.21 2 156 8.61 86 157 1.88 19 158 0.44 4 166 0.25 3 184 6.4 64 185 51.13 511 186 6.63 66 187 0.59 6 217 1.52 15 //