MassBank Record: JP001006



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

ACCESSION: JP001006
RECORD_TITLE: PARA-FLUOROBENZOIC ACID; 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$NAME: PARA-FLUOROBENZOIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H5FO2 CH$EXACT_MASS: 140.02736 CH$SMILES: OC(=O)c(c1)ccc(F)c1 CH$IUPAC: InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
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$SPLASH: splash10-00dm-8900000000-6424b0b84f9881cdbb73 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 28 5.23 52 31 1.31 13 37 2.24 22 38 1.74 17 39 2.24 22 45 2.62 26 47.5 1.04 10 49 1.25 13 50 10.91 109 51 4.36 44 56 1.53 15 57 2.89 29 61 1.36 14 61.5 1.09 11 62 1.53 15 63 2.02 20 68 3.92 39 69 5.83 58 70 3.82 38 73 1.53 15 74 7.09 71 75 27.7 277 76 2.51 25 83 2.07 21 94 1.31 13 95 76.12 761 96 6.54 65 123 99.99 999 124 7.31 73 140 69.85 699 141 5.89 59 //