MassBank Record: JP003566



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

ACCESSION: JP003566
RECORD_TITLE: DI-STEARYL 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$NAME: DI-STEARYL THIO-DI-PROPIONATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C42H82O4S CH$EXACT_MASS: 682.59338 CH$SMILES: C(CCCCCCCCCCCCOC(=O)CCSCCC(OCCCCCCCCCCCCCCCCCC)=O)CCCCC CH$IUPAC: InChI=1S/C42H82O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-45-41(43)35-39-47-40-36-42(44)46-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3 CH$LINK: INCHIKEY PWWSSIYVTQUJQQ-UHFFFAOYSA-N
AC$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$SPLASH: splash10-0a4l-9200000000-d33ac376628f6852f7bc PK$NUM_PEAK: 66 PK$PEAK: m/z int. rel.int. 27 5.49 55 28 11.36 114 29 16.99 170 41 31.93 319 42 7.65 77 43 79.61 796 54 3.56 36 55 99.99 999 56 20.19 202 57 80.36 804 58 2.63 26 61 6.57 66 67 7.01 70 68 9.43 94 69 36.55 366 70 14 140 71 42.55 426 73 19.76 198 74 3.06 31 81 6.2 62 82 11.07 111 83 35.61 356 84 7.99 80 85 21.94 219 87 2.21 22 88 6.18 62 89 24.34 243 95 4.81 48 96 6.45 65 97 22.73 227 98 5.48 55 99 5.5 55 105 7.03 70 106 19.33 193 107 10.71 107 109 2.42 24 110 3.47 35 111 10.91 109 112 3.04 30 113 6.18 62 114 4.91 49 115 3.15 32 119 4.73 47 125 5.61 56 127 5.64 56 132 10.2 102 133 4.4 44 139 2.25 23 141 2.69 27 142 4.97 50 143 36.02 360 144 3.1 31 160 2.96 30 161 21.21 212 178 25.64 256 179 6.73 67 180 2.03 20 285 2.74 27 325 4.82 48 357 2.25 23 412 2.02 20 413 5.01 50 430 8.24 82 431 3.33 33 682 8.11 81 683 3.76 38 //