MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008727
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008727
RECORD_TITLE: GAMMA-HEPTALACTONE; 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$NAME: GAMMA-HEPTALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12O2
CH$EXACT_MASS: 128.08373
CH$SMILES: CCCC(C1)OC(=O)C1
CH$IUPAC: InChI=1S/C7H12O2/c1-2-3-6-4-5-7(8)9-6/h6H,2-5H2,1H3
CH$LINK: INCHIKEY
VLSVVMPLPMNWBH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5047611
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$SPLASH: splash10-000i-9000000000-c224bc120cc60670620f
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
15 1.5 15
26 2.81 28
27 19.98 200
28 9.24 92
29 28.18 282
39 7.89 79
40 1.2 12
41 10.87 109
42 6.17 62
43 7.57 76
44 2.56 26
53 1.42 14
55 6.89 69
56 13.85 139
57 6.27 63
58 1.03 10
69 1.72 17
71 3.44 34
72 1.04 10
73 1 10
84 1.85 19
85 99.99 999
86 4.06 41
100 3.07 31
110 2.1 21
//