MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010199
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010199
RECORD_TITLE: 8-HYDROXY-4-TRIDECEN-6-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KANEMASA S, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 8-HYDROXY-4-TRIDECEN-6-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H24O2
CH$EXACT_MASS: 212.17763
CH$SMILES: CCCCCCCC(=O)C=CC(O)CC
CH$IUPAC: InChI=1S/C13H24O2/c1-3-5-6-7-8-9-13(15)11-10-12(14)4-2/h10-12,14H,3-9H2,1-2H3/b11-10-
CH$LINK: INCHIKEY
RWNNWUUGCZFEHL-KHPPLWFESA-N
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052g-9200000000-a3b911997ea2a84735ab
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
39 6.28 63
41 59.49 595
42 8.83 88
43 34.84 348
44 6.54 65
53 10.34 103
55 88.72 887
56 15.83 158
57 13.45 135
67 6.98 70
68 11.04 110
69 15.67 157
70 14.61 146
71 18.78 188
97 99.99 999
98 8.76 88
99 13.91 139
112 19.89 199
113 7.13 71
115 16.74 167
141 54.87 549
152 6.32 63
153 1.22 12
156 3.99 40
169 4.25 43
194 15.79 158
195 2.69 27
212 1.38 14
//