MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008588
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008588
RECORD_TITLE: BENZYL BUTYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: BENZYL BUTYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16O
CH$EXACT_MASS: 164.12012
CH$SMILES: CCCCOCc(c1)cccc1
CH$IUPAC: InChI=1S/C11H16O/c1-2-3-9-12-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
CH$LINK: INCHIKEY
MAYUYFCAPVDYBQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70207529
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9000000000-4c4bbf1c0ee9e3e9d307
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
27 5.63 56
29 6.35 64
39 7.22 72
41 7.97 80
43 1.66 17
50 1.18 12
51 3.53 35
57 1.93 19
63 1.86 19
65 11.22 112
77 4.52 45
78 1.59 16
79 7.79 78
89 2 20
90 1.43 14
91 99.99 999
92 59.29 593
93 3.51 35
105 1.45 15
107 7.01 70
108 6.03 60
//
system version 2.2.6-SNAPSHOT