MassBank Record: JP003564



 DI-LAURYL THIO-DI-PROPIONATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003564
RECORD_TITLE: DI-LAURYL THIO-DI-PROPIONATE; 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$NAME: DI-LAURYL THIO-DI-PROPIONATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C30H58O4S CH$EXACT_MASS: 514.40558 CH$SMILES: C(CCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC)CCCC CH$IUPAC: InChI=1S/C30H58O4S/c1-3-5-7-9-11-13-15-17-19-21-25-33-29(31)23-27-35-28-24-30(32)34-26-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3 CH$LINK: INCHIKEY GHKOFFNLGXMVNJ-UHFFFAOYSA-N
AC$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$SPLASH: splash10-0a4l-9300000000-6e61cc9b097ca5c2eec0 PK$NUM_PEAK: 66 PK$PEAK: m/z int. rel.int. 27 6.42 64 28 7.17 72 29 19.57 196 41 40.56 406 42 7.63 76 43 89.9 899 54 2.12 21 55 99.99 999 56 15.61 156 57 71.59 716 60 2.31 23 61 2.65 27 67 3.78 38 68 5.17 52 69 31.11 311 70 8.99 90 71 33.34 333 73 12.69 127 74 4.98 50 81 4.78 48 82 7.76 78 83 18.77 188 84 5.63 56 85 16.81 168 87 3.82 38 88 3.92 39 89 24.37 244 95 3.41 34 96 4.24 42 97 10.87 109 98 3.47 35 99 3.48 35 105 14.79 148 106 7.02 70 107 4.36 44 111 5.23 52 113 2.74 27 114 8.72 87 115 4.02 40 119 6.4 64 127 2.19 22 132 24.95 250 133 5.91 59 134 3.61 36 142 10.46 105 143 37.99 380 144 3.85 39 159 4.72 47 160 5.63 56 161 28.36 284 166 4.04 40 168 2.27 23 178 39.78 398 179 9.94 99 180 2.25 23 241 3.24 32 273 4.71 47 274 2.86 29 300 2.04 20 328 3.29 33 329 11.98 120 330 2.43 24 346 16.65 167 347 6 60 514 13.78 138 515 4.69 47 //