MassBank Record: JP003330



 METHOXYETHYL 12-CARBOXYMETHYL-9-OCTADECENOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003330
RECORD_TITLE: METHOXYETHYL 12-CARBOXYMETHYL-9-OCTADECENOATE; 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$NAME: METHOXYETHYL 12-CARBOXYMETHYL-9-OCTADECENOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C23H42O5 CH$EXACT_MASS: 398.30322 CH$SMILES: CCCCCCC(CC=CCCCCCCCC(=O)OCCOC)CC(O)=O CH$IUPAC: InChI=1S/C23H42O5/c1-3-4-5-12-15-21(20-22(24)25)16-13-10-8-6-7-9-11-14-17-23(26)28-19-18-27-2/h10,13,21H,3-9,11-12,14-20H2,1-2H3,(H,24,25)/b13-10+
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$SPLASH: splash10-03di-9440000000-bf4fd5b66c2880ff1994 PK$NUM_PEAK: 68 PK$PEAK: m/z int. rel.int. 53 5.7 57 56 9.8 98 57 20.9 209 58 40.2 402 66 0.32 3 67 37.9 379 68 15.7 157 69 20.1 201 70 0.37 4 71 5.2 52 77 3.4 34 79 16.2 162 80 1.67 17 81 33.7 337 82 16.4 164 83 13.4 134 84 0.87 9 85 4.8 48 91 5.2 52 93 10.8 108 94 1.03 10 95 22.1 221 96 15.3 153 97 15.8 158 98 2.65 27 99 7.3 73 107 6.6 66 108 7.1 71 109 1.29 13 110 11.3 113 111 6.2 62 112 4.3 43 113 0.33 3 117 4.3 43 118 3.9 39 119 3.1 31 121 0.78 8 122 5.7 57 123 9.3 93 124 8.8 88 125 0.33 3 131 3.1 31 135 9.1 91 136 5.8 58 137 0.83 8 138 6.1 61 149 7.3 73 150 12 120 151 1.62 16 152 3.8 38 159 13.9 139 163 5.2 52 164 1 10 165 5.1 51 166 12.3 123 167 3.6 36 177 0.36 4 178 5.6 56 208 5.4 54 234 9.4 94 262 99.99 999 263 36.2 362 264 8.3 83 280 6.8 68 338 1.55 16 339 6.7 67 340 1.9 19 378 2.4 24 //