MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002881
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002881
RECORD_TITLE: GAMMA-UNDECALACTONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000i-9000000000-8f487d9f5c5908a045c8
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
27 8.37 84
28 6.64 66
29 25.91 259
39 4.63 46
41 15.56 156
42 5.13 51
43 13.4 134
54 2.13 21
55 14.85 149
56 12.23 122
57 12.85 129
67 2.1 21
68 2.76 28
69 7.57 76
70 3.9 39
71 2.69 27
72 2.31 23
81 2.14 21
82 2.86 29
83 3.91 39
84 6.53 65
85 99.99 999
86 4.52 45
95 2.2 22
96 2.16 22
98 2.21 22
99 9.81 98
100 5.35 54
101 2.22 22
114 2.94 29
127 2.5 25
128 9.03 90
//
system version 2.2.6-SNAPSHOT