MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007766
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007766
RECORD_TITLE: 6-PENTYL-ALPHA-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$NAME: 6-PENTYL-ALPHA-PYRONE
CH$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$SPLASH: splash10-00ls-9200000000-5014144ac4670f88c240
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
29 2.1 21
39 22.45 225
41 3.18 32
43 4.16 42
53 2.12 21
55 4.25 43
67 2.13 21
68 33.83 338
69 2.05 21
81 51.15 512
82 51.55 516
94 4.24 42
95 99.99 999
96 6.88 69
109 1 10
110 39.52 395
111 1.98 20
129 4.23 42
138 11.57 116
166 20.15 202
167 1.22 12
//