MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008306
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008306
RECORD_TITLE: GAMMA-CAPROLACTONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: GAMMA-CAPROLACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10O2
CH$EXACT_MASS: 114.06808
CH$SMILES: CCC(C1)OC(=O)C1
CH$IUPAC: InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3
CH$LINK: INCHIKEY
JBFHTYHTHYHCDJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8041298
AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-0570-9000000000-44158ddc3fb5887db72f
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
14 0.92 9
15 2.86 29
25 0.19 2
26 5.01 50
27 21.43 214
28 31.33 313
29 96.43 964
30 3.84 38
31 2.65 27
37 0.57 6
38 2.72 27
39 9.32 93
40 2.16 22
41 10.88 109
42 23.87 239
43 3.75 38
44 0.48 5
45 0.48 5
49 0.1 1
50 0.52 5
51 0.67 7
52 0.22 2
53 1.46 15
54 0.83 8
55 15.11 151
56 39.94 399
57 38.85 389
58 3.82 38
59 4.07 41
60 0.74 7
61 0.1 1
62 0.13 1
63 0.15 2
65 0.12 1
67 0.44 4
68 0.26 3
69 0.54 5
70 16.84 168
71 1.28 13
72 1.07 11
73 0.28 3
83 0.14 1
84 1.06 11
85 99.99 999
86 10.87 109
87 1.71 17
95 0.52 5
97 0.37 4
113 1.96 20
114 2.61 26
115 1.34 13
//