ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010466
RECORD_TITLE: PHTHALIC ANHYDRIDE; 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$NAME: PHTHALIC ANHYDRIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₄O₃
CH$EXACT_MASS: 148.01604
CH$SMILES: O=c(o1)c(c2)c(ccc2)c(=O)1
CH$IUPAC: InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H
CH$LINK: INCHIKEY LGRFSURHDFAFJT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021159

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$SPLASH: splash10-0ufr-9400000000-0d538ca402ab68b3c933
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  25 1.05 11
  26 3.75 38
  27 2.23 22
  29 1.5 15
  36 1.59 16
  37 14.8 148
  38 17.05 171
  39 4.18 42
  44 1.85 19
  45 1.75 18
  48 1.06 11
  49 8.31 83
  50 59.23 592
  51 4.8 48
  52 4.37 44
  53 3.37 34
  60 1.03 10
  61 3.52 35
  62 2.02 20
  63 1.77 18
  65 1.83 18
  73 6.8 68
  74 25.11 251
  75 14.58 146
  76 89.78 898
  77 11.06 111
  104 99.99 999
  105 10.95 110
  122 2.98 30
  148 15.38 154
  149 2.54 25
//