MassBank Record: JP007078



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

ACCESSION: JP007078
RECORD_TITLE: P-CRESYL ISOVALERATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: P-CRESYL ISOVALERATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H16O2 CH$EXACT_MASS: 192.11503 CH$SMILES: CC(C)CC(=O)Oc(c1)ccc(C)c1 CH$IUPAC: InChI=1S/C12H16O2/c1-9(2)8-12(13)14-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3 CH$LINK: INCHIKEY MVDPTWHTUYDLTL-UHFFFAOYSA-N
AC$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-9800000000-ae3fe62535d29d3a9e9e PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 27 7.3 73 29 7.59 76 39 8.96 90 41 15.14 151 42 2.22 22 43 5.37 54 50 1.38 14 51 3.39 34 52 2.32 23 53 2.78 28 55 1.63 16 57 33.36 334 58 1.25 13 63 1.39 14 65 2.53 25 69 1.91 19 77 11.6 116 78 3.1 31 79 4.45 45 80 1.78 18 85 9.51 95 90 1.15 12 91 4.46 45 107 14.7 147 108 99.99 999 109 9.93 99 135 1.16 12 192 6.08 61 //