MassBank Record: JP006426



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

ACCESSION: JP006426
RECORD_TITLE: P-CRESYL HEPTANOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: HISAHIRO HAGIWARACHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV., CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: P-CRESYL HEPTANOATE CH$NAME: 4-METHYLPHENYL HEPTANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H20O2 CH$EXACT_MASS: 220.14633 CH$SMILES: CCCCCCC(=O)Oc(c1)ccc(C)c1 CH$IUPAC: InChI=1S/C14H20O2/c1-3-4-5-6-7-14(15)16-13-10-8-12(2)9-11-13/h8-11H,3-7H2,1-2H3 CH$LINK: INCHIKEY AGWLNVFDVVPLDL-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$SPLASH: splash10-0a4i-6900000000-30488b9b8720f29f8e48 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 27 5.56 56 29 3.76 38 39 3.15 32 41 9.5 95 42 1.76 18 43 29.86 299 51 1.67 17 52 1.11 11 53 1.73 17 55 5.93 59 57 3.3 33 65 1.88 19 69 1.03 10 77 6.55 66 78 1.79 18 79 2.74 27 80 1.05 11 86 3.66 37 91 2.45 25 107 9.9 99 108 99.99 999 109 10.26 103 113 4.7 47 220 3.3 33 //