MassBank Record: JP003346



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

ACCESSION: JP003346
RECORD_TITLE: PROPYLENEGLYCOL MONOLAURATE; 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$NAME: PROPYLENEGLYCOL MONOLAURATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H30O3 CH$EXACT_MASS: 258.21949 CH$SMILES: CCCCCCCCCCCC(=O)OCC(C)O CH$IUPAC: InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-15(17)18-13-14(2)16/h14,16H,3-13H2,1-2H3
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$SPLASH: splash10-052e-9200000000-8c175127e06896b6bee8 PK$NUM_PEAK: 73 PK$PEAK: m/z int. rel.int. 43 80.6 806 44 10.8 108 45 99.99 999 46 3.1 31 53 2.5 25 54 36.5 365 55 12.1 121 56 8.16 82 57 71.3 713 58 30.6 306 59 24.4 244 60 1 10 67 7.4 74 68 4.5 45 69 18.9 189 70 0.74 7 71 23.6 236 73 22.2 222 74 23.3 233 75 0.55 6 76 2 20 77 2.4 24 81 7 70 82 0.44 4 83 14.4 144 84 19.4 194 85 14.6 146 87 2.42 24 88 3.8 38 94 2.1 21 95 8.1 81 96 0.34 3 97 10.1 101 98 31.2 312 99 5.7 57 100 1.1 11 101 13.8 138 109 5.3 53 111 5 50 112 0.95 10 113 7.8 78 115 7.3 73 118 35.1 351 119 0.34 3 123 2 20 125 2.2 22 126 6.7 67 127 1.91 19 129 10.1 101 131 5.5 55 140 2.7 27 143 0.81 8 154 2 20 155 10 100 157 5.4 54 158 0.42 4 171 4.8 48 182 3.4 34 183 38.8 388 184 0.58 6 185 4.7 47 186 3.7 37 200 6.5 65 201 0.44 4 211 7.1 71 214 14 140 215 2.5 25 228 0.28 3 241 4.2 42 242 2.8 28 243 1.1 11 258 0.11 1 259 1.1 11 //