MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007169
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007169
RECORD_TITLE: TRANS-3-HEXENYL ISOBUTYRATE; 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$NAME: TRANS-3-HEXENYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O2
CH$EXACT_MASS: 170.13068
CH$SMILES: CCC=CCCOC(=O)C(C)C
CH$IUPAC: InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5+
CH$LINK: INCHIKEY
OSMAJVWUIUORGC-AATRIKPKSA-N
AC$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: splash10-00l6-9000000000-f0d8231210d59e59e634
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
26 1.24 12
27 22.93 229
28 4.87 49
29 7.46 75
39 17.82 178
40 2.88 29
41 42.02 420
42 6.28 63
43 99.99 999
44 2.79 28
51 1.21 12
53 5.23 52
54 7.33 73
55 20.57 206
56 1.26 13
65 1.04 10
66 1.2 12
67 81.54 815
68 4.76 48
69 1.77 18
70 1.13 11
71 52.73 527
72 2.07 21
79 1.01 10
81 4.92 49
82 84.15 842
83 6.57 66
89 1.54 15
//