MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008735
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008735
RECORD_TITLE: DELTA-NONALACTONE; 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$NAME: DELTA-NONALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O2
CH$EXACT_MASS: 156.11503
CH$SMILES: CCCCC(C1)OC(=O)CC1
CH$IUPAC: InChI=1S/C9H16O2/c1-2-3-5-8-6-4-7-9(10)11-8/h8H,2-7H2,1H3
CH$LINK: INCHIKEY
PXRBWNLUQYZAAX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70863149
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$SPLASH: splash10-006y-9000000000-726e12b176464d011270
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
15 2.31 23
17 1.15 12
26 2.36 24
27 24.55 246
28 1.17 12
29 21.37 214
39 14.95 150
40 3.29 33
41 38.72 387
42 41.72 417
43 28.78 288
44 3.58 36
53 2.99 30
54 4.04 40
55 30.82 308
56 14.49 145
57 7.05 71
58 1.63 16
60 2.08 21
67 2.17 22
68 3.96 40
69 8.6 86
70 29.46 295
71 48.03 480
72 2.85 29
81 1.42 14
83 2.69 27
84 3.95 40
85 3.44 34
86 3.14 31
95 1.13 11
96 3.05 31
97 1.54 15
99 99.99 999
100 5.74 57
101 1.15 12
113 1.23 12
114 10.72 107
115 1.24 12
127 1.15 12
128 1.07 11
138 4.61 46
156 1.85 19
//
system version 2.2.6-SNAPSHOT