MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008731
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008731
RECORD_TITLE: GAMMA-UNDECALACTONE; 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$NAME: GAMMA-UNDECALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H20O2
CH$EXACT_MASS: 184.14633
CH$SMILES: CCCCCCCC(C1)OC(=O)C1
CH$IUPAC: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3
CH$LINK: INCHIKEY
PHXATPHONSXBIL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4034287
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$SPLASH: splash10-000i-9000000000-3cc053772b2ab360bfdb
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
27 11.42 114
28 4.21 42
29 25.64 256
39 5.66 57
40 1.1 11
41 18.15 182
42 4.98 50
43 10.26 103
44 1.13 11
53 1.67 17
54 2.17 22
55 13.39 134
56 10.89 109
57 7.41 74
60 1.15 12
67 2.03 20
68 2.2 22
69 5.57 56
70 2.98 30
71 1.58 16
72 2.07 21
73 1.41 14
81 1.75 18
82 1.93 19
83 2.59 26
84 3.86 39
85 99.99 999
86 3.69 37
87 1.08 11
95 1.4 14
96 1.7 17
97 1.37 14
98 1.32 13
100 3.9 39
101 1.72 17
110 1.28 13
114 1.88 19
122 1.17 12
124 1.49 15
125 1.4 14
127 1.73 17
128 7.33 73
//
system version 2.2.6-SNAPSHOT