MassBank Record: JP003348



 PROPYLENE GLYCOL DILAURATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003348
RECORD_TITLE: PROPYLENE GLYCOL DILAURATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: PROPYLENE GLYCOL DILAURATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C27H52O4 CH$EXACT_MASS: 440.38656 CH$SMILES: CCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCC CH$IUPAC: InChI=1S/C27H52O4/c1-4-6-8-10-12-14-16-18-20-22-26(28)30-24-25(3)31-27(29)23-21-19-17-15-13-11-9-7-5-2/h25H,4-24H2,1-3H3
AC$INSTRUMENT: JEOL JMS-01-SG-2 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00dr-9210000000-7bc49b19bd96748bf95b PK$NUM_PEAK: 49 PK$PEAK: m/z int. rel.int. 45 5.9 59 53 2.5 25 54 29.9 299 55 19 190 56 22.2 222 57 2 20 58 9.2 92 59 0.3 3 60 2.4 24 67 4.2 42 68 2 20 69 1.48 15 70 3.4 34 71 7.2 72 73 3.6 36 74 99.99 999 75 25.2 252 81 3.1 31 83 9.4 94 84 0.5 5 85 4.4 44 87 81.5 815 88 8.1 81 95 0.24 2 97 5.8 58 98 5.5 55 101 9.4 94 111 0.22 2 115 7.1 71 116 3.9 39 129 11.1 111 140 0.29 3 143 20.7 207 157 5.4 54 171 15.8 158 172 0.22 2 183 18.1 181 184 2.4 24 185 6.2 62 200 0.18 2 201 18.3 183 213 1.1 11 214 49.4 494 215 1.18 12 216 1.2 12 256 3.1 31 257 1 10 325 0.09 1 326 1.2 12 //