MassBank Record: JP004892



 ETHYL 4-BENZYLOXY-3-METHYLPENTANOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP004892
RECORD_TITLE: ETHYL 4-BENZYLOXY-3-METHYLPENTANOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: KATO TDEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV., DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 4-BENZYLOXY-3-METHYLPENTANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H22O3 CH$EXACT_MASS: 250.15689 CH$SMILES: CCOC(=O)CC(C)C(C)OCc(c1)cccc1 CH$IUPAC: InChI=1S/C15H22O3/c1-4-17-15(16)10-12(2)13(3)18-11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3 CH$LINK: INCHIKEY ZWWXNEVKUXNIRZ-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 10 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-006x-2900000000-a04ce0ab51b127be3a4f PK$NUM_PEAK: 41 PK$PEAK: m/z int. rel.int. 72 2 20 74 3.4 34 88 81 810 89 0.64 6 91 54.9 549 92 25.9 259 97 3.5 35 98 0.11 1 100 6.2 62 101 1.7 17 104 1.3 13 105 0.17 2 107 37.2 372 112 34.8 348 113 7.1 71 116 0.2 2 119 3.4 34 120 1.5 15 121 59.3 593 122 99.99 999 123 5.5 55 126 5 50 127 53.5 535 129 0.95 10 130 1.8 18 134 10.6 106 140 0.4 4 141 3.88 39 143 75.8 758 144 21.6 216 148 2.3 23 158 1.54 15 159 17.6 176 175 3.9 39 176 3.5 35 188 0.38 4 191 4.7 47 193 63.5 635 204 2.2 22 205 0.13 1 250 2.8 28 //

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