MassBank Record: JP002224



 3-ETHYL-3-METHYLGLUTARIC ACID DIMETHY ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002224
RECORD_TITLE: 3-ETHYL-3-METHYLGLUTARIC ACID DIMETHY ESTER; 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$NAME: 3-ETHYL-3-METHYLGLUTARIC ACID DIMETHY ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H18O4 CH$EXACT_MASS: 202.12051 CH$SMILES: COC(=O)CC(C)(CC)CC(=O)OC CH$IUPAC: InChI=1S/C10H18O4/c1-5-10(2,6-8(11)13-3)7-9(12)14-4/h5-7H2,1-4H3
AC$INSTRUMENT: JEOL JMS-01-SG AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00or-9700000000-a375838bb40ef6cf843a PK$NUM_PEAK: 60 PK$PEAK: m/z int. rel.int. 39 12.5 125 41 34.6 346 42 5.7 57 43 1.44 14 51 1.9 19 53 8.6 86 54 5.7 57 55 4.03 40 56 1.9 19 59 7.6 76 61 3.8 38 64 0.19 2 67 6.7 67 68 11.5 115 69 83.6 836 70 0.57 6 71 1.9 19 74 9.6 96 75 2.8 28 79 0.19 2 81 9.6 96 83 7.6 76 84 1.9 19 85 1.05 11 86 3.8 38 87 43.2 432 88 3.8 38 93 0.28 3 94 3.8 38 95 7.6 76 96 16.3 163 97 8.55 86 98 7.6 76 99 4.8 48 101 2.8 28 104 0.38 4 109 19.2 192 110 5.7 57 111 8.6 86 112 0.19 2 113 20.1 201 114 1.9 19 117 4.8 48 121 0.38 4 127 7.6 76 128 19.2 192 129 99.99 999 130 0.86 9 131 1.9 19 139 3.8 38 140 1.9 19 141 5.09 51 142 18.2 182 143 9.6 96 155 4.8 48 170 1.05 11 171 39.4 394 172 3.8 38 173 1.9 19 186 4.8 48 //