MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004927
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004927
RECORD_TITLE: DIISOPROPYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: DIISOPROPYL KETONE
CH$NAME: 2,4-DIMETHYL-3-PENTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O
CH$EXACT_MASS: 114.10447
CH$SMILES: CC(C)C(=O)C(C)C
CH$IUPAC: InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3
CH$LINK: CAS
565-80-0
CH$LINK: INCHIKEY
HXVNBWAKAOHACI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3038771
AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0006-9000000000-1d1a0ce69adf31b36584
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
42 5.76 58
43 99.99 999
70 8 80
71 36.58 366
72 2 20
114 8.23 82
//