ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008907
RECORD_TITLE: ALPHA-TETRALONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ALPHA-TETRALONE
CH$NAME: 1,2,3,4-TETRAHYDRO-1-NAPHTHALENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀O
CH$EXACT_MASS: 146.07316
CH$SMILES: O=C(C1)c(c2)c(ccc2)CC1
CH$IUPAC: InChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2
CH$LINK: INCHIKEY XHLHPRDBBAGVEG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2027175

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-014m-7900000000-f5226cbbcd0f300e6e49
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  26 1 10
  27 5.1 51
  28 1.3 13
  37 0.12 1
  38 3.3 33
  39 14.6 146
  40 1.9 19
  41 0.19 2
  45 1.1 11
  50 7.8 78
  51 12 120
  52 0.21 2
  55 2.4 24
  57 1.4 14
  57.5 3.1 31
  58 0.34 3
  59 1.4 14
  61 1.6 16
  62 5.6 56
  63 1.62 16
  64 5.3 53
  65 6.8 68
  72 1.4 14
  74 0.35 4
  75 3.2 32
  76 2.6 26
  77 5.6 56
  78 0.21 2
  86 1.6 16
  87 2.1 21
  88 1.3 13
  89 2.33 23
  90 67.5 675
  91 13.3 133
  92 1.1 11
  102 0.24 2
  103 3.4 34
  104 3.7 37
  115 13.4 134
  116 0.46 5
  117 9.3 93
  118 99.99 999
  119 8.7 87
  128 0.31 3
  129 1.8 18
  131 12 120
  132 1.4 14
  145 0.63 6
  146 57.6 576
  147 6.6 66
//