ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011884
RECORD_TITLE: N-PHTHALOYLGLYCINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: N-PHTHALOYLGLYCINE
CH$NAME: 1,3-DIOXO-2-ISOINDOLINEACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₇NO₄
CH$EXACT_MASS: 205.03751
CH$SMILES: OC(=O)Cn(c(=O)1)c(=O)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)
CH$LINK: CAS 4702-13-0
CH$LINK: NIKKAJI J68.615H
CH$LINK: INCHIKEY WQINSVOOIJDOLJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00197005

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-03di-2900000000-3333d17a667406bf7e82
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  28 1.13 11
  38 1.19 12
  45 2.29 23
  50 8.98 90
  51 3.69 37
  52 1.5 15
  66 1.8 18
  74 5.02 50
  75 5.64 56
  76 16.12 161
  77 13.78 138
  78 1.53 15
  102 1.24 12
  104 14.66 147
  105 6.48 65
  117 1.71 17
  130 1.58 16
  132 3.37 34
  133 10.74 107
  160 99.99 999
  161 66.81 668
  162 6.71 67
  205 1.42 14
//