MassBank Record: JP001714



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

ACCESSION: JP001714
RECORD_TITLE: HEXANEDIOIC ACID DIBUTYL 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$NAME: HEXANEDIOIC ACID DIBUTYL ESTER CH$NAME: DIBUTYL ADIPATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H26O4 CH$EXACT_MASS: 258.18311 CH$SMILES: CCCCOC(=O)CCCCC(=O)OCCCC CH$IUPAC: InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3
AC$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$SPLASH: splash10-0kbr-5900000000-f9d54bdf9e6a6d0e382c PK$NUM_PEAK: 83 PK$PEAK: m/z int. rel.int. 27 0.45 5 29 7.9 79 41 12.52 125 42 0.54 5 43 7.02 70 44 0.27 3 45 0.67 7 52 1.31 13 54 1.75 18 55 11.97 120 56 52.69 527 57 27.98 280 58 2.42 24 59 3.34 33 60 9.33 93 61 4.38 44 64 0.41 4 67 0.15 2 68 2.25 23 69 2.72 27 70 0.42 4 71 0.3 3 73 9.89 99 74 1.45 15 75 0.38 4 79 0.22 2 82 1.76 18 83 14.46 145 84 5.9 59 85 1.41 14 86 1.04 10 87 50.84 508 88 2.3 23 90 10.9 109 95 8.17 82 96 0.6 6 97 0.45 5 98 1.34 13 99 1.66 17 100 35.48 355 101 36.54 365 102 6.71 67 103 2.29 23 109 0.49 5 110 3.75 38 111 54.59 546 112 10 100 113 1.03 10 114 0.24 2 116 1.25 13 117 0.4 4 124 0.2 2 126 0.27 3 127 1.37 14 128 5.54 55 129 99.99 999 130 10.25 103 131 1.9 19 132 1.84 18 141 0.34 3 142 0.92 9 143 34.95 350 144 3.44 34 145 0.59 6 147 0.3 3 155 0.4 4 156 41.26 413 157 4.8 48 158 4.27 43 159 0.48 5 169 0.97 10 183 0.33 3 184 3.45 35 185 82.57 826 186 14.87 149 187 1.77 18 202 0.11 1 203 1.83 18 204 0.19 2 229 0.5 5 258 0.78 8 259 7.23 72 260 1.11 11 //