MassBank Record: JP003534



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

ACCESSION: JP003534
RECORD_TITLE: BENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: YAMAMOTO MDEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV., DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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 RMU-6E 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: splash10-0a6r-9600000000-d08dbc757a6de6c3f54e PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 17 5.6 56 18 27.7 277 28 2.6 26 37 2.1 21 38 4.3 43 38.5 1.9 19 39 4.6 46 45 0.15 2 47 1.5 15 50 13.7 137 51 25.4 254 52 0.41 4 52.5 2.1 21 65 1.9 19 66 1.3 13 73 0.13 1 74 5.2 52 76 4.5 45 77 62.4 624 78 0.57 6 94 2.2 22 105 99.99 999 106 7.6 76 122 8.8 88 123 7.1 71 //