MassBank Record: JP009065



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

ACCESSION: JP009065
RECORD_TITLE: BENZYL HEPTANOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: BENZYL HEPTANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H20O2 CH$EXACT_MASS: 220.14633 CH$SMILES: CCCCCCC(=O)OCc(c1)cccc1 CH$IUPAC: InChI=1S/C14H20O2/c1-2-3-4-8-11-14(15)16-12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3 CH$LINK: INCHIKEY UEDDAJQIHUEZCJ-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80B 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: splash10-0006-9200000000-51f5bd61cbb4775a4ecb PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 27 9.89 99 28 4.54 45 29 11.07 111 39 10.09 101 41 17.79 178 42 3.53 35 43 29.1 291 50 1.2 12 51 4.94 49 52 1.52 15 53 1.28 13 55 7.2 72 56 1.37 14 57 3.8 38 63 2.24 22 65 13.36 134 69 6.07 61 77 7.59 76 78 1.76 18 79 7.06 71 83 8.51 85 85 5.72 57 87 1 10 89 3.86 39 90 9.54 95 91 99.99 999 92 20.03 200 93 1.18 12 105 2.08 21 107 4.87 49 108 45.54 455 109 3.4 34 111 5.9 59 113 9.11 91 129 5.9 59 220 2.68 27 //