ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008277
RECORD_TITLE: ALPHA-ACETYL-DELTA-VALEROLACTONE; 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$NAME: ALPHA-ACETYL-DELTA-VALEROLACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H10O3
CH$EXACT_MASS: 142.06299
CH$SMILES: CC(=O)C(C1)C(=O)OCC1
CH$IUPAC: InChI=1S/C7H10O3/c1-5(8)6-3-2-4-10-7(6)9/h6H,2-4H2,1H3
CH$LINK: INCHIKEY DRBJCTHMAXSQQA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30466039
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$SPLASH: splash10-0006-9300000000-9a84511aba74074f138f
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  15 9.96 100
  26 2.37 24
  27 14.35 144
  28 6.99 70
  29 9.93 99
  31 2.24 22
  38 1.27 13
  39 12.02 120
  40 2.52 25
  41 10.61 106
  42 6.57 66
  43 99.99 999
  44 6.07 61
  45 4.06 41
  51 1.18 12
  53 7.25 73
  54 7.97 80
  55 27.57 276
  56 6.71 67
  57 2.27 23
  58 5.29 53
  67 1.2 12
  68 1.24 12
  69 7.04 70
  70 2.14 21
  71 3 30
  72 2.61 26
  73 7.57 76
  81 5.23 52
  82 7.24 72
  83 2.51 25
  84 4.66 47
  85 2.91 29
  95 1.08 11
  96 5.71 57
  97 2.58 26
  98 0.94 9
  99 20.81 208
  100 54.52 545
  101 3.33 33
  109 12.26 123
  124 6.68 67
  127 16.29 163
  128 1.32 13
  142 14.46 145
  143 1.36 14
//
