MassBank Record: JP006416



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

ACCESSION: JP006416
RECORD_TITLE: P-CRESYL BUTYRATE; 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$NAME: P-CRESYL BUTYRATE CH$NAME: 4-METHYLPHENYL BUTYRATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H14O2 CH$EXACT_MASS: 178.09938 CH$SMILES: CCCC(=O)Oc(c1)ccc(C)c1 CH$IUPAC: InChI=1S/C11H14O2/c1-3-4-11(12)13-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3 CH$LINK: INCHIKEY RRXBRABFDRJAPX-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$SPLASH: splash10-0a4i-7900000000-bc4ffb81261319d176ea PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 27 10.69 107 29 1.24 12 39 6.69 67 41 8.33 83 42 1.53 15 43 30.44 304 50 1.47 15 51 4.23 42 52 2.34 23 53 2.39 24 55 1.71 17 63 1.46 15 65 2.32 23 71 11.58 116 77 10.67 107 78 3.42 34 79 4.59 46 80 1.94 19 90 1.46 15 91 3.64 36 107 18.29 183 108 99.99 999 109 8.85 89 178 7.37 74 //