MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007440
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007440
RECORD_TITLE: 2-(2-BUTOXYETHOXY)ETHANOL; CI-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$NAME: 2-(2-BUTOXYETHOXY)ETHANOL
CH$NAME: BUTYL CARBITOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18O3
CH$EXACT_MASS: 162.12559
CH$SMILES: CCCCOCCOCCO
CH$IUPAC: InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3
CH$LINK: CAS
112-34-5
CH$LINK: INCHIKEY
OAYXUHPQHDHDDZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8021519
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-03di-1900000000-8aef03e0bb456b96d1a4
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
73 1.75 18
75 1.03 10
85 1.96 20
87 3.63 36
88 0.53 5
89 9.44 94
90 0.54 5
100 1.42 14
101 6.71 67
102 0.52 5
105 0.52 5
107 19.08 191
108 0.96 10
119 0.52 5
132 0.53 5
144 0.58 6
145 0.56 6
161 1.31 13
163 99.99 999
164 9.28 93
165 1.06 11
//