MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008728
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008728
RECORD_TITLE: GAMMA-OCTALACTONE; 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$NAME: GAMMA-OCTALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14O2
CH$EXACT_MASS: 142.09938
CH$SMILES: CCCCC(C1)OC(=O)C1
CH$IUPAC: InChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3
CH$LINK: INCHIKEY
IPBFYZQJXZJBFQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1047609
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$SPLASH: splash10-000i-9000000000-b38e079f829f45a525dd
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
26 1.44 14
27 12.89 129
28 5.62 56
29 24.29 243
39 6.02 60
40 1.04 10
41 9.42 94
42 4.41 44
43 2.01 20
44 1.82 18
53 1.37 14
54 1.36 14
55 6.42 64
56 7.64 76
57 6.73 67
58 1.46 15
67 1.02 10
69 2.1 21
70 2.76 28
72 1.57 16
82 1.08 11
84 1.1 11
85 99.99 999
86 3.86 39
87 1.41 14
96 1.04 10
100 4.17 42
114 1.48 15
124 1.47 15
//
system version 2.2.6-SNAPSHOT