MassBank Record: JP011225



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

ACCESSION: JP011225
RECORD_TITLE: BENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: BENZOIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H6O2 CH$EXACT_MASS: 122.03678 CH$SMILES: OC(=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) CH$LINK: INCHIKEY WPYMKLBDIGXBTP-UHFFFAOYSA-N
AC$INSTRUMENT: SHIMADZU QP-1000EX AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-05i0-5900000000-1b6bbf98557af374f3a5 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 39 3.7 37 40 4.1 41 41 0.9 9 43 1.9 19 44 3.7 37 45 2.7 27 50 1.5 15 51 15.8 158 52 5.4 54 55 1.3 13 57 1.4 14 60 1.5 15 65 2.7 27 66 1.8 18 73 1.6 16 76 3.6 36 77 64.3 643 78 9.1 91 94 3.3 33 104 1.2 12 105 99.3 993 106 7.5 75 121 1.2 12 122 99.99 999 123 7.4 74 124 0.8 8 //