MassBank Record: JP002273



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

ACCESSION: JP002273
RECORD_TITLE: 3-METHOXYHEPTANOPHENONE; 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$NAME: 3-METHOXYHEPTANOPHENONE CH$NAME: 3-METHOXY-1-PHENYL-1-HEPTANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H20O2 CH$EXACT_MASS: 220.14633 CH$SMILES: CCCCC(OC)CC(=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C14H20O2/c1-3-4-10-13(16-2)11-14(15)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
AC$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-4900000000-18d2d006ac8ce13e8a03 PK$NUM_PEAK: 41 PK$PEAK: m/z int. rel.int. 41 7.57 76 43 2.41 24 44 3.38 34 45 8.11 81 50 1.59 16 51 7.33 73 55 5.52 55 57 2.76 28 58 1.27 13 69 9.27 93 71 3.64 36 76 1.62 16 77 31.76 318 78 3.19 32 81 1.97 20 85 5.29 53 91 2.76 28 100 1.98 20 101 6.58 66 105 99.99 999 106 8.37 84 111 2.49 25 115 1.93 19 117 1.59 16 120 5.26 53 131 2.81 28 132 1.43 14 133 2.32 23 134 1.82 18 145 3.91 39 146 1.22 12 157 3.42 34 159 6.61 66 163 12.17 122 164 1.51 15 182 1.95 20 184 1.53 15 188 11.99 120 189 2.28 23 205 3.86 39 220 1.18 12 //