MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010896
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010896
RECORD_TITLE: TRANS-2-HEXENYL 2-METHYLBUTYRATE; 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$NAME: TRANS-2-HEXENYL 2-METHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H20O2
CH$EXACT_MASS: 184.14633
CH$SMILES: CCCC=CCOC(=O)C(C)CC
CH$IUPAC: InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h7-8,10H,4-6,9H2,1-3H3/b8-7+
CH$LINK: INCHIKEY
SXJKRFLZGRFPBD-BQYQJAHWSA-N
AC$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: splash10-0a4i-9000000000-1fc04ce24b13844e373a
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
27 14.6 146
29 26.9 269
39 14.9 149
41 48.5 485
42 4 40
43 2.9 29
53 4.9 49
54 9 90
55 46.8 468
56 5.7 57
57 99.99 999
58 4.3 43
67 16.7 167
69 1.1 11
81 2.1 21
82 12.5 125
83 25.5 255
84 2.2 22
85 40.1 401
86 1.6 16
103 1.4 14
184 2.1 21
//
system version 2.2.8-SNAPSHOT