MassBank Record: JP000077



 ISOBUTYL PARA HYDROXY BENZOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000077
RECORD_TITLE: ISOBUTYL PARA HYDROXY BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ISOBUTYL PARA HYDROXY BENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H14O3 CH$EXACT_MASS: 194.09429 CH$SMILES: CC(C)COC(=O)c(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3
AC$INSTRUMENT: HITACHI RMU-7M AC$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$SPLASH: splash10-00dr-4900000000-3d0134adeb830e265010 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 27 4.78 48 29 3.18 32 39 12.74 127 41 6.37 64 43 3.34 33 59 3.03 30 63 3.03 30 64 2.39 24 65 19.03 190 66 2.39 24 92 1.75 18 93 19.51 195 94 3.9 39 95 1.43 14 120 1.27 13 121 99.99 999 122 9.87 99 123 1.27 13 138 48.01 480 139 6.85 69 //