MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008734
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008734
RECORD_TITLE: DELTA-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$NAME: DELTA-OCTALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14O2
CH$EXACT_MASS: 142.09938
CH$SMILES: CCCC(C1)OC(=O)CC1
CH$IUPAC: InChI=1S/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3
CH$LINK: INCHIKEY
FYTRVXSHONWYNE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5047164
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$SPLASH: splash10-006y-9000000000-b4b0181c1887ad4c1088
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
15 2.76 28
26 2.82 28
27 29.52 295
28 3.32 33
29 14.32 143
31 1.58 16
38 1.72 17
39 21.87 219
40 4.41 44
41 39.55 396
42 55.89 559
43 34.58 346
44 3.73 37
51 1.52 15
53 2.91 29
54 2.77 28
55 38.29 383
56 7.63 76
57 2.23 22
67 2.26 23
68 2.24 22
69 5.16 52
70 40.58 406
71 56.37 564
72 3.12 31
73 1.2 12
83 1.28 13
86 1.57 16
99 99.99 999
100 4.96 50
114 7.27 73
124 2.73 27
142 1.69 17
//