ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010146
RECORD_TITLE: 1-ETHYL-1,3,3-TRIMETHYL-5-(1-METHYL-3-PROPANAL)INDAN; 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$NAME: 1-ETHYL-1,3,3-TRIMETHYL-5-(1-METHYL-3-PROPANAL)INDAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H26O
CH$EXACT_MASS: 258.19837
CH$SMILES: O=CCC(C)c(c2)cc(C(C)(C)1)c(c2)C(C)(CC)C1
CH$IUPAC: InChI=1S/C18H26O/c1-6-18(5)12-17(3,4)16-11-14(7-8-15(16)18)13(2)9-10-19/h7-8,10-11,13H,6,9,12H2,1-5H3
CH$LINK: INCHIKEY ODUMZLYKVWGWHS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:101588560
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$SPLASH: splash10-004i-0090000000-b9cb3511abe63076922d
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  41 2 20
  43 8 80
  57 2 20
  71 1.3 13
  128 2 20
  129 2 20
  171 2 20
  173 0.3 3
  185 2 20
  199 5 50
  200 2 20
  214 0.3 3
  215 15 150
  216 2 20
  229 99.99 999
  230 1.9 19
  243 34 340
  244 7 70
  258 15 150
  259 2 20
//
