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MassBank Record: JP010464

PHTHALIC ACID; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP010464
RECORD_TITLE: PHTHALIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PHTHALIC ACID
CH$NAME: 1,2-BENZENEDICABOXYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H6O4
CH$EXACT_MASS: 166.02661
CH$SMILES: OC(=O)c(c1)c(ccc1)C(O)=O
CH$IUPAC: InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)
CH$LINK: CAS 88-99-3
CH$LINK: INCHIKEY XNGIFLGASWRNHJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8021484

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$SPLASH: splash10-0zor-9500000000-e5ec33e3312a4a87ea39
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  17 1.78 18
  18 5.07 51
  26 3.18 32
  27 6.47 65
  28 1.47 15
  29 3.78 38
  37 10.87 109
  38 14.65 147
  39 35.64 356
  44 1.39 14
  45 26.45 265
  47 1.71 17
  49 6.76 68
  50 58.78 588
  51 29.39 294
  52 7.46 75
  53 8.82 88
  55 1.04 10
  61 2.92 29
  62 3.08 31
  63 6.64 66
  64 5.52 55
  65 42.32 423
  66 6.25 63
  73 5.73 57
  74 26.39 264
  75 17.37 174
  76 51.68 517
  77 42.05 421
  78 6.32 63
  92 6.23 62
  93 11.85 119
  94 4.95 50
  104 34.57 346
  105 99.99 999
  106 7.85 79
  121 5.51 55
  122 89.47 895
  123 7.32 73
  148 4.52 45
  149 19.79 198
  150 1.86 19
  166 7.66 77
  167 3.82 38
//

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