ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003650
RECORD_TITLE: 1,5-DI-TERT-BUTYL-3,3-DIMETHYLBICYCLO(3.1.0)HEXAN-2-ONE; 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$NAME: 1,5-DI-TERT-BUTYL-3,3-DIMETHYLBICYCLO(3.1.0)HEXAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H28O
CH$EXACT_MASS: 236.21402
CH$SMILES: CC(C)(C)C(C2)(C1)C(C(C)(C)C)(C(=O)C(C)(C)2)1
CH$IUPAC: InChI=1S/C16H28O/c1-12(2,3)15-9-14(7,8)11(17)16(15,10-15)13(4,5)6/h9-10H2,1-8H3
CH$LINK: INCHIKEY BPSOBKPRRBSNAW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80941063
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: splash10-0a59-9600000000-c44324b88bcdc89bc67c
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  41 30 300
  43 10 100
  55 15 150
  57 99.99 999
  67 6 60
  69 10 100
  81 5 50
  83 0.09 1
  109 10 100
  123 10 100
  137 20 200
  165 0.5 5
  180 77 770
  236 0.4 4
//
