MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006972
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006972
RECORD_TITLE: TRANS-2-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$NAME: TRANS-2-HEXENYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O2
CH$EXACT_MASS: 170.13068
CH$SMILES: CCCC=CCOC(=O)C(C)C
CH$IUPAC: InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h6-7,9H,4-5,8H2,1-3H3/b7-6+
CH$LINK: INCHIKEY
DSFNTAVCWZDPEB-VOTSOKGWSA-N
AC$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: splash10-0006-9000000000-117dcd37f554d0254aa9
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
18 1.58 16
26 1.2 12
27 23.11 231
28 2.21 22
29 11 110
39 18.83 188
40 2.4 24
41 50.68 507
42 6.1 61
43 99.99 999
44 2.88 29
51 1.1 11
53 5.49 55
54 10.63 106
55 50.06 501
56 3.95 40
57 8.79 88
67 21.66 217
68 1.36 14
70 1.58 16
71 71.49 715
72 2.92 29
81 2.69 27
82 15.21 152
83 24.92 249
84 1.5 15
89 1.96 20
99 1.65 17
100 1.15 12
127 1.63 16
141 1.01 10
170 3.22 32
//