MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005663
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005663
RECORD_TITLE: 6-PENTYL-2-PYRONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 6-PENTYL-2-PYRONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O2
CH$EXACT_MASS: 166.09938
CH$SMILES: CCCCCC(=C1)OC(=O)C=C1
CH$IUPAC: InChI=1S/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,2-4,6H2,1H3
CH$LINK: INCHIKEY
MAUFTTLGOUBZNA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0047589
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000t-9200000000-022860393a31130e8775
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
29 2.11 21
39 23.43 234
41 2.68 27
43 2.58 26
53 1.74 17
55 3.15 32
67 1.62 16
68 22.91 229
69 1.26 13
81 48.06 481
82 49.83 498
83 3.26 33
84 1.12 11
93 1.03 10
94 4.17 42
95 99.99 999
96 6.64 66
109 1 10
110 37.24 372
111 1.66 17
123 4.18 42
138 12.42 124
139 1.02 10
166 19.62 196
167 1.39 14
//
system version 2.2.6-SNAPSHOT