MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008618
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008618
RECORD_TITLE: ALLYL HEXANOATE; 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$NAME: ALLYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O2
CH$EXACT_MASS: 156.11503
CH$SMILES: CCCCCC(=O)OCC=C
CH$IUPAC: InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3
CH$LINK: INCHIKEY
RCSBILYQLVXLJG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1047653
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$SPLASH: splash10-0006-9000000000-149d79e35c1f7b309b58
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
15 1.49 15
26 2.36 24
27 25.62 256
29 26.55 266
31 1.69 17
38 1.91 19
39 36.55 366
40 4.69 47
41 96.82 968
42 17.79 178
43 99.99 999
44 3.58 36
45 2.22 22
53 2.03 20
54 7.5 75
55 30.68 307
56 9.06 91
57 11.83 118
58 6.78 68
60 1.42 14
67 1.2 12
69 26.97 270
70 4.71 47
71 57.32 573
72 3.74 37
73 7.97 80
81 1.56 16
82 2.42 24
85 1.48 15
97 5.99 60
98 1.04 10
99 94.66 947
100 29.05 291
101 1.66 17
113 8.91 89
127 2.09 21
//