MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008730
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008730
RECORD_TITLE: GAMMA-DECALACTONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: GAMMA-DECALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O2
CH$EXACT_MASS: 170.13068
CH$SMILES: CCCCCCC(C1)OC(=O)C1
CH$IUPAC: InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3
CH$LINK: INCHIKEY
IFYYFLINQYPWGJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4022109
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-000i-9000000000-4b166790a11e7c302d92
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
26 1.03 10
27 11.36 114
28 5.9 59
29 23.41 234
39 5.03 50
40 1.02 10
41 15.67 157
42 4.09 41
43 10.45 105
53 1.37 14
54 1.62 16
55 10.9 109
56 6.57 66
57 4.87 49
58 1.25 13
67 1.13 11
68 1.5 15
69 3.07 31
70 3.13 31
71 1.05 11
72 1.55 16
81 1.3 13
83 1.47 15
84 2.4 24
85 99.99 999
86 3.68 37
97 1.11 11
100 3.56 36
110 1.59 16
111 1.24 12
113 1.8 18
114 1.42 14
128 7.83 78
//