MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003917
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003917
RECORD_TITLE: DI-SEC-BUTYL 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$NAME: DI-SEC-BUTYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18O
CH$EXACT_MASS: 130.13577
CH$SMILES: CCC(C)OC(C)CC
CH$IUPAC: InChI=1S/C8H18O/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3
CH$LINK: INCHIKEY
HHBZZTKMMLDNDN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6027636
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: splash10-0a4i-9000000000-67827ae52674df6b7a86
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
29 10.5 105
41 17 170
43 5.6 56
56 0.98 10
57 99.99 999
58 6 60
59 44.3 443
114 15.3 153
//
system version 2.2.6-SNAPSHOT