ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002955
RECORD_TITLE: ALPHA-ACETYL DELTA-VALEROLACTONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$LINK: COMPTOX DTXSID30466039
CH$LINK: INCHIKEY DRBJCTHMAXSQQA-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:11446390

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9300000000-017c99dda7488f838b76
PK$NUM_PEAK: 38
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
  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
  53 7.25 73
  54 7.97 80
  55 27.57 276
  56 6.71 67
  57 2.27 23
  58 5.29 53
  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
  96 5.71 57
  97 2.58 26
  99 20.81 208
  100 54.52 545
  101 3.33 33
  109 12.26 123
  124 6.68 67
  127 16.29 163
  142 14.46 145
//