ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007805
RECORD_TITLE: 5-CYANO-1,2,3,4-TETRAHYDRONAPHTHALENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 5-CYANO-1,2,3,4-TETRAHYDRONAPHTHALENE
CH$NAME: 5-CYANOTETRALIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₁N
CH$EXACT_MASS: 157.08915
CH$SMILES: N#Cc(c1)c(C2)c(CCC2)cc1
CH$IUPAC: InChI=1S/C11H11N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h3,5-6H,1-2,4,7H2
CH$LINK: INCHIKEY PYPOBLLWIOJZEJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80342490

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-004i-2900000000-8084a5428dae41088567
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 1.96 20
  29 3.86 39
  39 8.01 80
  41 3.22 32
  44 9.01 90
  50 5.51 55
  51 9.01 90
  63 9.55 96
  64 3.9 39
  75 4.57 46
  77 8.83 88
  89 6.01 60
  102 9.14 91
  103 4.53 45
  115 6.62 66
  116 26.51 265
  128 3.78 38
  129 99.99 999
  130 12.51 125
  141 1.06 11
  142 15.56 156
  157 44.68 447
  158 2.13 21
//