MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003913
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003913
RECORD_TITLE: DIISOPROPYL ETHER; 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$NAME: DIISOPROPYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14O
CH$EXACT_MASS: 102.10447
CH$SMILES: CC(C)OC(C)C
CH$IUPAC: InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3
CH$LINK: INCHIKEY
ZAFNJMIOTHYJRJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4021890
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: splash10-0002-9000000000-435cdb59396d2a949068
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
27 5.3 53
28 1.8 18
29 2.6 26
31 0.24 2
39 4.8 48
41 11.5 115
42 3.9 39
43 4 40
44 4.3 43
45 99.99 999
46 3.6 36
59 0.91 9
69 3.2 32
87 22.3 223
//