MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006508
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006508
RECORD_TITLE: TRANS-2-HEXENYL PENTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: TRANS-2-HEXENYL PENTANOATE
CH$NAME: TRANS-2-HEXENYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H20O2
CH$EXACT_MASS: 184.14633
CH$SMILES: CCCC=CCOC(=O)CCCC
CH$IUPAC: InChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+
CH$LINK: INCHIKEY
WDXAMNXWZLXISB-BQYQJAHWSA-N
CH$LINK: COMPTOX
DTXSID40886209
AC$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: splash10-052r-9000000000-171a784619598ba93d51
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
27 14.25 143
29 16.07 161
39 17.33 173
41 47.35 474
42 6.97 70
43 11.34 113
51 1.21 12
53 4.8 48
54 12.3 123
55 36.29 363
56 4.5 45
57 77.43 774
58 3.07 31
59 2.89 29
60 1.53 15
65 1.16 12
67 29.06 291
68 1.78 18
69 2.25 23
81 2.82 28
82 22.34 223
83 19.88 199
84 1.73 17
85 99.99 999
86 4.66 47
87 1.4 14
99 1.95 20
100 2.14 21
103 2.25 23
142 1.1 11
155 1.48 15
184 2 20
//
system version 2.2.8-SNAPSHOT