ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002939
RECORD_TITLE: 3-ISOQUINOLONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 3-ISOQUINOLONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H7NO
CH$EXACT_MASS: 145.05276
CH$SMILES: O=C(N=1)Cc(c2)c(ccc2)C1
CH$IUPAC: InChI=1S/C9H7NO/c11-9-5-7-3-1-2-4-8(7)6-10-9/h1-4,6H,5H2
CH$LINK: INCHIKEY SAAKIDBWTMIZGV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50618755
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0udi-4900000000-f1f4868d2b555e2adbed
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  28 4.06 41
  39 7.99 80
  50 3.4 34
  51 8.63 86
  52 7.86 79
  58 3.54 35
  59 2.06 21
  62 2.86 29
  63 7.41 74
  65 4.74 47
  77 5.21 52
  78 13.99 140
  89 6.67 67
  90 5.2 52
  91 8.38 84
  102 2.13 21
  103 12.66 127
  104 99.99 999
  105 10.03 100
  117 6.94 69
  118 15.49 155
  146 9.9 99
  147 37.48 375
  148 3.81 38
//
