MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007204
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007204
RECORD_TITLE: CIS-3-HEXENYL DECANOATE; 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$NAME: CIS-3-HEXENYL DECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H30O2
CH$EXACT_MASS: 254.22458
CH$SMILES: CCCCCCCCCC(=O)OCCC=CCC
CH$IUPAC: InChI=1S/C16H30O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h6,8H,3-5,7,9-15H2,1-2H3/b8-6-
CH$LINK: INCHIKEY
APSRJAGZYONPLL-VURMDHGXSA-N
CH$LINK: COMPTOX
DTXSID10893869
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$SPLASH: splash10-001i-9000000000-786728617e25fe6d2ae9
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
27 4.02 40
29 2.98 30
39 4.13 41
41 18.88 189
42 3.34 33
43 14.87 149
53 2.22 22
54 3.14 31
55 19.49 195
56 2.2 22
57 7.46 75
60 1.08 11
67 39.74 397
68 2.48 25
69 3.39 34
71 6.35 64
73 1.25 13
79 1.19 12
81 4.03 40
82 99.99 999
83 14.64 146
84 1.46 15
85 3.86 39
95 1.79 18
155 7.97 80
156 1.07 11
//