MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001501
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001501
RECORD_TITLE: DIISOPROPYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0005-9000000000-d7172da71aef97ba2242
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
15 4.87 49
27 10.81 108
28 1.08 11
29 2.2 22
31 4.1 41
39 6.97 70
40 1.15 12
41 14.85 149
42 3.28 33
43 39.6 396
44 1.73 17
45 99.99 999
46 2.45 25
59 9.93 99
69 3.8 38
87 19.48 195
88 1.23 12
102 2.34 23
//