MassBank Record: JP001740



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

ACCESSION: JP001740
RECORD_TITLE: HEPTANEDIOIC ACID DIHEXYL ESTER; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: HEPTANEDIOIC ACID DIHEXYL ESTER CH$NAME: DIHEXYL PIMELATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H36O4 CH$EXACT_MASS: 328.26136 CH$SMILES: CCCCCCOC(=O)CCCCCC(=O)OCCCCCC CH$IUPAC: InChI=1S/C19H36O4/c1-3-5-7-12-16-22-18(20)14-10-9-11-15-19(21)23-17-13-8-6-4-2/h3-17H2,1-2H3 CH$LINK: INCHIKEY IVDOEOOGJHETHB-UHFFFAOYSA-N
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: splash10-004l-6930000000-f58d4d93831d350da52c PK$NUM_PEAK: 44 PK$PEAK: m/z int. rel.int. 41 4.93 49 42 9.38 94 43 30.63 306 44 6.78 68 55 11.02 110 56 27.37 274 57 12.21 122 61 4.34 43 69 15.44 154 70 3.61 36 71 2.06 21 73 4.04 40 82 5.33 53 83 15.34 153 84 22.32 223 85 16.75 168 87 3.15 32 97 14.2 142 98 8.83 88 101 65.01 650 111 6.6 66 114 7.29 73 115 14.7 147 116 3.8 38 117 2.82 28 124 8.9 89 125 48.4 484 126 8.28 83 129 8.63 86 141 1.67 17 142 5.61 56 143 99.99 999 144 8.85 89 152 5.64 56 171 6.61 66 185 17.42 174 198 3.39 34 200 2.71 27 213 1.61 16 226 1.51 15 227 92.84 928 228 13.89 139 245 1.81 18 255 1.27 13 //