MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010914
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010914
RECORD_TITLE: TRANS-2-HEXENYL PHENYLACETATE; 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$NAME: TRANS-2-HEXENYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H18O2
CH$EXACT_MASS: 218.13068
CH$SMILES: CCCC=CCOC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C14H18O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h4-10H,2-3,11-12H2,1H3/b8-4+
CH$LINK: INCHIKEY
BYGAPGDXGHDYGP-XBXARRHUSA-N
CH$LINK: COMPTOX
DTXSID90887180
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$SPLASH: splash10-0006-9000000000-791ebfdd24937a736821
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
27 9 90
29 4.5 45
39 14.4 144
41 38.4 384
42 3.1 31
43 1.8 18
50 1.4 14
51 2.9 29
52 1.4 14
53 3.4 34
54 6.1 61
55 49.8 498
56 2.5 25
57 1.3 13
63 2.5 25
65 13.8 138
66 1.2 12
67 10.3 103
77 1.2 12
79 1 10
81 1.7 17
82 6.7 67
83 31.9 319
84 1.8 18
89 3 30
90 2.1 21
91 99.99 999
92 12.1 121
99 1.3 13
118 3.5 35
119 1.1 11
218 4.9 49
//
system version 2.2.8-SNAPSHOT