MassBank Record: JP002449



 ETHYL (6S)-7-BENZYLOXY-6-METHYL-3-OXO-HEPTANOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002449
RECORD_TITLE: ETHYL (6S)-7-BENZYLOXY-6-METHYL-3-OXO-HEPTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL (6S)-7-BENZYLOXY-6-METHYL-3-OXO-HEPTANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H24O4 CH$EXACT_MASS: 292.16746 CH$SMILES: CCOC(=O)CC(=O)CCC([H])(C)COCc(c1)cccc1 CH$IUPAC: InChI=1S/C17H24O4/c1-3-21-17(19)11-16(18)10-9-14(2)12-20-13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3/t14-/m0/s1
AC$INSTRUMENT: HITACHI M-52 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 13.5 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001i-0900000000-33a2879d974ec92e7638 PK$NUM_PEAK: 61 PK$PEAK: m/z int. rel.int. 45 1.4 14 69 1.9 19 80 1.5 15 83 0.47 5 85 1.3 13 88 1.4 14 91 15.9 159 92 1.12 11 94 2.9 29 95 1.7 17 96 2.5 25 97 0.5 5 98 3 30 105 1.9 19 106 1.4 14 107 0.62 6 108 5 50 109 1.4 14 110 1.2 12 111 0.75 8 112 4.7 47 113 3.1 31 114 2.1 21 115 0.62 6 122 3.4 34 125 6.2 62 129 2.1 21 130 6.92 69 131 7.5 75 132 3.4 34 133 3.2 32 138 0.15 2 139 9.3 93 140 9.7 97 141 1.7 17 143 3.27 33 144 2.9 29 155 13.7 137 156 1.1 11 157 0.35 4 158 1.7 17 159 1.8 18 166 3.3 33 167 1.09 11 168 18.7 187 169 1.3 13 171 10.9 109 172 0.11 1 183 99.99 999 184 59.6 596 185 24 240 186 0.47 5 187 3.7 37 188 1.1 11 201 14.3 143 233 0.15 2 246 2.7 27 247 2.3 23 274 2 20 292 0.2 2 293 1.4 14 //