ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012104
RECORD_TITLE: TETRALIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, INSTITUTE FOR CHEMICAL REACTION SCIENCE TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: TETRALIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂
CH$EXACT_MASS: 132.09390
CH$SMILES: C(C2)Cc(c1)c(C2)ccc1
CH$IUPAC: InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2
CH$LINK: INCHIKEY CXWXQJXEFPUFDZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1026118

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0ue9-4900000000-6df963605be8ec78f34c
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  39 7.2 72
  41 2 20
  50 3.2 32
  51 10.1 101
  52 2.4 24
  53 2.9 29
  57 2.2 22
  58 1.9 19
  62 1.7 17
  63 6.3 63
  64 8.1 81
  65 11 110
  66 1.3 13
  74 1.8 18
  75 1.7 17
  76 1.8 18
  77 9.7 97
  78 10 100
  79 1.8 18
  89 2.8 28
  91 48.4 484
  92 4.1 41
  101 1 10
  102 3.2 32
  103 8.9 89
  104 99.99 999
  105 10.6 106
  115 14.6 146
  116 6.6 66
  117 16.1 161
  118 1.6 16
  126 1.4 14
  127 4.5 45
  128 10 100
  129 6.8 68
  130 2.3 23
  131 15.7 157
  132 68.2 682
  133 7.8 78
//