ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003652
RECORD_TITLE: 1-TERT-BUTYL-3-PIVALOYLCYCLOPROPENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 1-TERT-BUTYL-3-PIVALOYLCYCLOPROPENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H20O
CH$EXACT_MASS: 180.15142
CH$SMILES: CC(C)(C)C(=O)C(C=1)C(C(C)(C)C)1
CH$IUPAC: InChI=1S/C12H20O/c1-11(2,3)9-7-8(9)10(13)12(4,5)6/h7-8H,1-6H3
CH$LINK: INCHIKEY NQCHIAZTRFTROO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20340531
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: splash10-0006-9000000000-24e80338d7fbf906fcc6
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  39 6 60
  40 6 60
  41 16 160
  43 0.9 9
  44 99.99 999
  53 3 30
  55 15 150
  57 0.11 1
  67 17 170
  93 3 30
  95 55 550
  123 0.03 0
  165 17 170
  180 3 30
//
