ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001635
RECORD_TITLE: ISOQUINOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
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$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-0fb9-9700000000-153cb7989d20a5d305fe
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  32 5.62 56
  37 3.36 34
  38 6.35 64
  39 10.45 105
  40 1.12 11
  43 1.51 15
  44 2.93 29
  49 4.31 43
  50 25.88 259
  51 52.69 527
  52 9.47 95
  53 1.07 11
  61 2.78 28
  62 5.31 53
  63 10.09 101
  64 6.93 69
  65 2.24 22
  73 1.71 17
  74 12.14 121
  75 18.81 188
  76 21.16 212
  77 9.52 95
  78 6.63 66
  79 1.23 12
  87 1.23 12
  89 1.45 15
  98 1.56 16
  99 1.14 11
  100 1.71 17
  101 11.34 113
  102 45.84 458
  103 11.56 116
  127 1.23 12
  128 20.14 201
  129 99.99 999
  130 10.51 105
//