MassBank Record: JP007173



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

ACCESSION: JP007173
RECORD_TITLE: P-CRESYL ISOBUTYRATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: P-CRESYL ISOBUTYRATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H14O2 CH$EXACT_MASS: 178.09938 CH$SMILES: CC(C)C(=O)Oc(c1)ccc(C)c1 CH$IUPAC: InChI=1S/C11H14O2/c1-8(2)11(12)13-10-6-4-9(3)5-7-10/h4-8H,1-3H3 CH$LINK: INCHIKEY UPPSFGGDKACIKP-UHFFFAOYSA-N
AC$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: splash10-0a4l-9700000000-7f3009ff6f506c7ee841 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 26 1.01 10 27 12.08 121 39 8.21 82 40 1.08 11 41 10.29 103 42 2.33 23 43 62.46 625 44 1.78 18 50 1.88 19 51 5.65 57 52 2.9 29 53 3.84 38 55 1.26 13 63 1.68 17 65 2.59 26 70 8.15 82 71 16.86 169 77 14.06 141 78 4.86 49 79 6.05 61 80 2.35 24 90 2.01 20 91 4.12 41 107 24.62 246 108 99.99 999 109 7.57 76 178 10.98 110 179 1.33 13 //