MassBank Record: JP009592

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TEREPHTHALIC ACID; EI-B; MS
Mass Spectrum
Chemical Structure
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ACCESSION: JP009592
RECORD_TITLE: TEREPHTHALIC ACID; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: TEREPHTHALIC ACID CH$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$INSTRUMENT: JEOL JMS-AX-505-H AC$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$SPLASH: splash10-014j-9500000000-6b6ec61e945c382eed89 PK$NUM_PEAK: 65 PK$PEAK: m/z int. rel.int. 23 1.01 10 26 1.65 17 27 7.15 72 29 9.25 93 31 3.54 35 32 3.64 36 37 4.75 48 38 10.59 106 39 29.25 293 40 2.55 26 41 8.43 84 42 3.24 32 43 8.07 81 44 4.4 44 45 17.4 174 49 4.68 47 50 44.82 448 51 35.32 353 52 4.45 45 53 7.77 78 55 1.81 18 56 2.24 22 57 3.11 31 59 3.19 32 60 2.8 28 61 4.04 40 62 8.47 85 63 10.82 108 65 93.66 937 66 7.05 71 67 1.73 17 68 3.58 36 69 2.75 28 71 3.05 31 72 1.74 17 73 11.01 110 74 45.36 454 75 30.27 303 76 36.28 363 77 12.04 120 78 3.5 35 81 4.44 44 83 1.82 18 86 1.19 12 90 1.5 15 92 1.09 11 93 8.62 86 98 1.01 10 101 2.79 28 102 2.31 23 103 8.3 83 104 11.11 111 105 6.83 68 115 1.61 16 119 3.53 35 120 2.24 22 121 42.97 430 122 6.16 62 138 5.29 53 148 7.68 77 149 99.99 999 150 9.17 92 166 88.83 888 167 6.73 67 168 1.39 14 //