MassBank Record: JP002422



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

ACCESSION: JP002422
RECORD_TITLE: METHYL (6S)-6-METHYL-3-OXO-7-OCTENOATE; 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$NAME: METHYL (6S)-6-METHYL-3-OXO-7-OCTENOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H16O3 CH$EXACT_MASS: 184.10994 CH$SMILES: COC(=O)CC(=O)CCC([H])(C)C=C CH$IUPAC: InChI=1S/C10H16O3/c1-4-8(2)5-6-9(11)7-10(12)13-3/h4,8H,1,5-7H2,2-3H3/t8-/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$SPLASH: splash10-0300-6900000000-9d7d4e55d710ebd42a7a PK$NUM_PEAK: 39 PK$PEAK: m/z int. rel.int. 43 40 400 55 8.5 85 57 3.6 36 67 0.54 5 68 4 40 69 23.7 237 74 99.99 999 75 0.36 4 80 2.7 27 81 4.9 49 82 8.9 89 83 4 40 84 25 250 88 2.2 22 92 6.3 63 93 1.16 12 95 20.1 201 96 14.3 143 97 4 40 98 0.49 5 101 2.7 27 106 67.5 675 107 9.8 98 108 0.71 7 109 11.2 112 110 82.5 825 111 35 350 112 0.4 4 116 95 950 123 4 40 124 8.9 89 129 2.32 23 134 8.9 89 137 9.4 94 152 10.7 107 155 0.4 4 166 20.1 201 169 7.1 71 184 3.1 31 //