ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009036
RECORD_TITLE: ISOQUINOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: ISOQUINOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₇N
CH$EXACT_MASS: 129.05785
CH$SMILES: c(c2)cc(c1)c(c2)cnc1
CH$IUPAC: InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
CH$LINK: CAS 119-65-3
CH$LINK: INCHIKEY AWJUIBRHMBBTKR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2047644

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-004i-5900000000-938e708f6f6371c89a90
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 1.07 11
  28 1.21 12
  37 1.31 13
  38 2.08 21
  39 4.18 42
  49 1.17 12
  50 12.19 122
  51 17.4 174
  52 4.03 40
  61 1.57 16
  62 2.85 29
  63 6.64 66
  64 2.37 24
  74 8.91 89
  75 11.86 119
  76 10.2 102
  77 4.15 42
  78 2.3 23
  87 1.07 11
  98 1.13 11
  101 6.5 65
  102 26.67 267
  103 8.2 82
  127 1.02 10
  128 17.44 174
  129 99.99 999
  130 10.98 110
//