MassBank Record: JP000998



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

ACCESSION: JP000998
RECORD_TITLE: PARA-CYANOBENZOIC 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$NAME: PARA-CYANOBENZOIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H5NO2 CH$EXACT_MASS: 147.03203 CH$SMILES: N#Cc(c1)ccc(c1)C(O)=O CH$IUPAC: InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)
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$SPLASH: splash10-0f8a-3900000000-418d21ad5a0f6a34519d PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 27 2.2 22 28 4.62 46 37 1.81 18 38 1.98 20 39 2.86 29 45 2.58 26 50 14.45 145 51 12.42 124 52 2.69 27 63 2.03 20 64 1.37 14 65 2.64 26 74 3.57 36 75 17.03 170 76 14.78 148 77 1.15 12 101 1.43 14 102 51.87 519 103 5.16 52 119 3.02 30 120 3.57 36 130 99.99 999 131 8.24 82 147 55.27 553 148 4.4 44 //