ACCESSION: MSBNK-RIKEN_NPDepo-NGA02829
RECORD_TITLE: cycloanthranilylproline; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Organic chemicals, Polycyclic compounds, Anthracenes

CH$NAME: cycloanthranilylproline
CH$COMPOUND_CLASS: Polycyclic aromatic natural products
CH$FORMULA: C₁₂H₁₂N₂O₂
CH$EXACT_MASS: 216.2416
CH$SMILES: O=C1c2ccccc2N=C(O)[C@@H]2CCCN12
CH$IUPAC: InChI=1S/C12H12N2O2/c15-11-10-6-3-7-14(10)12(16)8-4-1-2-5-9(8)13-11/h1-2,4-5,10H,3,6-7H2,(H,13,15)/t10-/m0/s1
CH$LINK: INCHIKEY MXBNEEHQIDLPLQ-JTQLQIEISA-N
CH$LINK: PUBCHEM CID:677114

AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-014i-0090000000-74fbb58e0ea85b0d1e16
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  216.3 0.97 0
  216.4 3.5 3
  216.5 8.52 8
  216.6 17.34 17
  216.7 31.22 31
  216.8 49.97 49
  216.9 70.86 70
  217.0 88.84 88
  217.1 99.12 99
  217.2 100.0 99
  217.3 91.85 91
  217.4 74.39 74
  217.5 48.72 48
  217.6 21.67 21
  217.7 2.88 2
//