MassBank Record: JP009208



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

ACCESSION: JP009208
RECORD_TITLE: BENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
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: HITACHI M-80B 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: splash10-0pk9-9800000000-b93fc1120a1c74b88fa3 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 17 1.1 11 26 1.23 12 27 2.97 30 37 2.65 27 38 5.5 55 39 8.12 81 45 6.1 61 49 2.46 25 50 24.1 241 51 40.89 409 52 6.91 69 53 1.46 15 61 1.04 10 62 1.08 11 63 1.17 12 65 2.2 22 66 1.9 19 73 1.92 19 74 9.14 91 75 3.3 33 76 6.65 67 77 74.48 745 78 8.26 83 94 2.78 28 105 99.99 999 106 8.4 84 122 82.82 828 123 6.2 62 //