ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010012
RECORD_TITLE: 5-METHYL-5-VINYLTETRAHYDRO-2-FURANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 5-METHYL-5-VINYLTETRAHYDRO-2-FURANONE
CH$NAME: 2-FURANONE-3,4-DIHYDRO-5-METHYL-5-VINYL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₀O₂
CH$EXACT_MASS: 126.06808
CH$SMILES: C=CC(C)(C1)OC(=O)C1
CH$IUPAC: InChI=1S/C7H10O2/c1-3-7(2)5-4-6(8)9-7/h3H,1,4-5H2,2H3
CH$LINK: INCHIKEY QESPSAHXYXIGBG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40862523

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0bvl-9200000000-288aefec213df99a77a2
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  26 5.5 55
  27 30.9 309
  28 38.1 381
  29 0.51 5
  32 2.5 25
  38 1.8 18
  39 16.6 166
  40 0.26 3
  41 17.6 176
  42 8.6 86
  43 55 550
  44 0.19 2
  50 3.1 31
  51 4.5 45
  52 2.3 23
  53 0.75 8
  54 4.9 49
  55 67.9 679
  56 38 380
  57 0.18 2
  65 3.5 35
  66 1.2 12
  67 36.5 365
  68 0.27 3
  69 2.1 21
  70 3.4 34
  71 47.4 474
  72 0.21 2
  79 1.8 18
  81 4.7 47
  82 2.5 25
  83 2.01 20
  84 4.5 45
  98 23.2 232
  99 28.2 282
  100 0.16 2
  111 99.99 999
  112 6.9 69
  126 14.9 149
  127 1.8 18
//