ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009831
RECORD_TITLE: 2-(4-TERT-BUTYLPHENYL)PROPANAL; 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$NAME: 2-(4-TERT-BUTYLPHENYL)PROPANAL
CH$NAME: 2-(4-(1,1-DIMETHYLETHYL)PHENYL)PROPANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H18O
CH$EXACT_MASS: 190.13577
CH$SMILES: O=CC(C)c(c1)ccc(c1)C(C)(C)C
CH$IUPAC: InChI=1S/C13H18O/c1-10(9-14)11-5-7-12(8-6-11)13(2,3)4/h5-10H,1-4H3
CH$LINK: INCHIKEY SNOVXNPIRUDJNG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:590304
AC$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: splash10-03di-2900000000-883e8d9462d0a2111e27
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  57 45.8 458
  145 13.1 131
  161 99.99 999
  162 1.41 14
  175 12.3 123
  190 12.5 125
//
