MassBank Record: JP003565



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

ACCESSION: JP003565
RECORD_TITLE: DI-MYRISTYL 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$NAME: DI-MYRISTYL THIO-DI-PROPIONATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C34H66O4S CH$EXACT_MASS: 570.46818 CH$SMILES: C(OC(CCSCCC(OCCCCCCCCCCCCCC)=O)=O)CCCCCCCCCCCCC CH$IUPAC: InChI=1S/C34H66O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-37-33(35)27-31-39-32-28-34(36)38-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3 CH$LINK: INCHIKEY LVEOKSIILWWVEO-UHFFFAOYSA-N
AC$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$SPLASH: splash10-0a4l-9300000000-4f2448151f3b0da9d1bd PK$NUM_PEAK: 78 PK$PEAK: m/z int. rel.int. 27 8.73 87 28 4.68 47 29 18.53 185 41 39.6 396 42 7.79 78 43 94.4 944 54 3.3 33 55 99.99 999 56 17.14 171 57 86.76 868 58 3.28 33 60 3.82 38 61 4.86 49 67 5.91 59 68 6.24 62 69 36.65 367 70 11.4 114 71 35.1 351 73 14.22 142 74 4.26 43 75 2.47 25 81 5.92 59 82 10.4 104 83 26.96 270 84 6.84 68 85 20.82 208 87 3.56 36 88 5.08 51 89 24.19 242 95 3.58 36 96 5.89 59 97 17.82 178 98 4.88 49 99 4.79 48 105 12.57 126 106 10.39 104 107 6.3 63 109 2.3 23 110 2.49 25 111 6.94 69 112 2.21 22 113 4.63 46 114 8.17 82 115 3.99 40 117 2.15 22 119 7.67 77 125 3.31 33 127 3.78 38 132 23 230 133 6.31 63 134 3.32 33 141 2.07 21 142 9.84 98 143 43.07 431 144 3.72 37 145 2.31 23 159 4.64 46 160 5.04 50 161 30.19 302 162 2.4 24 178 40.38 404 179 9.86 99 180 2.49 25 194 3.42 34 196 2.53 25 229 3.72 37 251 2.06 21 269 3.29 33 301 3.34 33 302 2.24 22 355 2.43 24 356 2.74 27 357 12.05 121 358 2.72 27 374 18.57 186 375 4.6 46 570 8.21 82 571 3.32 33 //