MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008477
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008477
RECORD_TITLE: CINNAMYL HEXANOATE; 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$NAME: CINNAMYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H20O2
CH$EXACT_MASS: 232.14633
CH$SMILES: CCCCCC(=O)OCC=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C15H20O2/c1-2-3-5-12-15(16)17-13-8-11-14-9-6-4-7-10-14/h4,6-11H,2-3,5,12-13H2,1H3/b11-8+
CH$LINK: INCHIKEY
BHXVENZBMFLCKE-DHZHZOJOSA-N
AC$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: splash10-014m-9400000000-5f892a0d4e1c3ce00577
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
27 7.53 75
29 8.26 83
39 8.77 88
41 11.69 117
42 2.78 28
43 52.29 523
50 1.11 11
51 4.62 46
55 6.46 65
56 1.02 10
63 2.07 21
65 2.73 27
69 1.37 14
71 43.18 432
72 1.88 19
76 1.01 10
77 7 70
78 3.92 39
79 1.42 14
89 1.97 20
91 14.98 150
92 4.71 47
99 99.99 999
100 5.97 60
102 1.92 19
103 3.18 32
104 2.26 23
105 4.59 46
115 40.75 408
116 20.23 202
117 47.64 476
118 5.2 52
131 1.73 17
133 15.68 157
134 9.06 91
232 10.74 107
233 1.51 15
//