MassBank Record: JP002272



 3-METHOXY-5-METHYLHEXANOPHENONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002272
RECORD_TITLE: 3-METHOXY-5-METHYLHEXANOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 3-METHOXY-5-METHYLHEXANOPHENONE CH$NAME: 3-METHOXY-5-METHYL-1-PHENYL-1-HEXANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H20O2 CH$EXACT_MASS: 220.14633 CH$SMILES: COC(CC(C)C)CC(=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C14H20O2/c1-11(2)9-13(16-3)10-14(15)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3
AC$INSTRUMENT: JEOL JMS-D-3000 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: splash10-0a4i-5900000000-cb5f463ce5c9b8a512ed PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 41 7.58 76 43 8.36 84 45 7.53 75 50 1.33 13 51 6.05 61 55 3.72 37 57 3.95 40 58 1.78 18 59 6.67 67 69 11.93 119 71 1.62 16 76 1.32 13 77 27.28 273 78 2.7 27 85 11.73 117 91 1.9 19 100 2.01 20 101 7.85 79 105 99.99 999 106 8.38 84 115 1.33 13 117 1.65 17 120 5.88 59 131 2.73 27 132 1.36 14 133 4.82 48 145 8.53 85 146 4.89 49 163 13.04 130 164 1.55 16 173 3.07 31 188 10.13 101 189 1.68 17 205 4.65 47 220 1.28 13 //