MassBank Record: JP004285



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

ACCESSION: JP004285
RECORD_TITLE: BENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: TAJIMA SGUNMA COLLEGE OF TECHNOLOGY, GUNMA COLLEGE OF TECHNOLOGY
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$LINK: CAS 65-85-0 CH$LINK: INCHIKEY WPYMKLBDIGXBTP-UHFFFAOYSA-N
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$SPLASH: splash10-0adi-9800000000-40f904bf20072c72a08b PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 27 3.15 32 37 2.71 27 38 4.12 41 39 6.51 65 44 1.95 20 45 2.17 22 49 2.17 22 50 17.68 177 51 31.02 310 52 5.42 54 53 1.63 16 63 2.17 22 65 4.34 43 66 3.25 33 73 2.17 22 74 7.81 78 75 4.34 43 76 6.51 65 77 86.88 869 78 9.76 98 91 2.71 27 94 3.8 38 104 2.17 22 105 99.99 999 106 9.22 92 120 6.51 65 121 5.42 54 122 68.33 683 123 6.4 64 //