MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001816
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001816
RECORD_TITLE: 4-METHYL-2-PENTANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: 4-METHYL-2-PENTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14O
CH$EXACT_MASS: 102.10447
CH$SMILES: CC(C)CC(C)O
CH$IUPAC: InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3
CH$LINK: INCHIKEY
WVYWICLMDOOCFB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2026781
AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0002-9000000000-249727e6c8ac064ea5fc
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
15 1.98 20
19 1.35 14
27 7.54 75
29 5.08 51
31 1.75 18
39 5.95 60
41 14.84 148
42 4.76 48
43 22.14 221
44 6.59 66
45 99.99 999
46 2.22 22
55 1.83 18
56 4.44 44
57 4.76 48
69 14.29 143
84 3.1 31
87 4.6 46
//