ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008306
RECORD_TITLE: GAMMA-CAPROLACTONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: GAMMA-CAPROLACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₂
CH$EXACT_MASS: 114.06808
CH$SMILES: CCC(C1)OC(=O)C1
CH$IUPAC: InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3
CH$LINK: INCHIKEY JBFHTYHTHYHCDJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8041298

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-0570-9000000000-44158ddc3fb5887db72f
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  14 0.92 9
  15 2.86 29
  25 0.19 2
  26 5.01 50
  27 21.43 214
  28 31.33 313
  29 96.43 964
  30 3.84 38
  31 2.65 27
  37 0.57 6
  38 2.72 27
  39 9.32 93
  40 2.16 22
  41 10.88 109
  42 23.87 239
  43 3.75 38
  44 0.48 5
  45 0.48 5
  49 0.1 1
  50 0.52 5
  51 0.67 7
  52 0.22 2
  53 1.46 15
  54 0.83 8
  55 15.11 151
  56 39.94 399
  57 38.85 389
  58 3.82 38
  59 4.07 41
  60 0.74 7
  61 0.1 1
  62 0.13 1
  63 0.15 2
  65 0.12 1
  67 0.44 4
  68 0.26 3
  69 0.54 5
  70 16.84 168
  71 1.28 13
  72 1.07 11
  73 0.28 3
  83 0.14 1
  84 1.06 11
  85 99.99 999
  86 10.87 109
  87 1.71 17
  95 0.52 5
  97 0.37 4
  113 1.96 20
  114 2.61 26
  115 1.34 13
//