MassBank Record: JP009731



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

ACCESSION: JP009731
RECORD_TITLE: BENZOIC ACID HEXYL ESTER; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: HASHIMOTO KKYOTO COLLEGE OF PHARMACY, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: BENZOIC ACID HEXYL ESTER CH$NAME: HEXYL BENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H18O2 CH$EXACT_MASS: 206.13068 CH$SMILES: CCCCCCOC(=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3 CH$LINK: INCHIKEY UUGLJVMIFJNVFH-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-05fr-3900000000-c9118a2ac789e99690dd PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 41 1.74 17 42 6.09 61 43 4.9 49 55 6.71 67 56 19.45 195 57 1.15 12 69 7.28 73 77 10.15 102 78 1.14 11 79 4.65 47 83 1.05 11 84 16.85 169 85 1.17 12 105 60.45 605 106 5.23 52 122 14.49 145 123 99.99 999 124 7.82 78 206 1.72 17 207 0.43 4 //