MassBank Record: JP010452

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TEREPHTHALIC ACID; EI-B; MS
Mass Spectrum
Chemical Structure
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ACCESSION: JP010452
RECORD_TITLE: TEREPHTHALIC ACID; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: TEREPHTHALIC ACID CH$NAME: 1,4-BENZENEDICARBOXYLIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H6O4 CH$EXACT_MASS: 166.02661 CH$SMILES: OC(=O)c(c1)ccc(c1)C(O)=O CH$IUPAC: InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12) CH$LINK: INCHIKEY KKEYFWRCBNTPAC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6026080
AC$INSTRUMENT: HITACHI M-80A 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: splash10-014j-6900000000-1a7e017001fe0602a248 PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 27 1.61 16 28 3.73 37 29 1.11 11 37 2.07 21 38 3.4 34 39 12.2 122 45 10.82 108 49 1.1 11 50 12.33 123 51 9.92 99 52 1.81 18 53 3.84 38 62 1.03 10 63 3.21 32 64 1.19 12 65 44.32 443 66 3.57 36 73 1.36 14 74 9.04 90 75 8.28 83 76 11.27 113 77 5.85 59 78 1.47 15 79 2.42 24 93 2.38 24 103 2.09 21 104 3.21 32 105 3.07 31 121 13.74 137 122 1.93 19 138 1.68 17 149 99.99 999 150 9.76 98 151 1.22 12 155 1.11 11 166 74.74 747 167 15.7 157 168 1.69 17 //