MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008356
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008356
RECORD_TITLE: BENZYL TRANS-2-HEXENOATE; 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$NAME: BENZYL TRANS-2-HEXENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H16O2
CH$EXACT_MASS: 204.11503
CH$SMILES: CCCC=CC(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C13H16O2/c1-2-3-5-10-13(14)15-11-12-8-6-4-7-9-12/h4-10H,2-3,11H2,1H3/b10-5+
CH$LINK: INCHIKEY
DLYYFHZPEQEPLG-BJMVGYQFSA-N
AC$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: splash10-0007-9100000000-56b3b52ee5b9e6fd856b
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
14 7.24 72
27 10.08 101
38 1.98 20
39 14.93 149
41 15.21 152
42 3.36 34
43 1 10
45 1.14 11
50 2.01 20
51 7.35 74
52 2.86 29
53 3.72 37
54 1.35 14
55 49.12 491
56 2.54 25
63 4.06 41
65 13.56 136
66 1.69 17
67 1.78 18
68 5.26 53
69 3.71 37
70 1.26 13
77 8.5 85
78 2.42 24
79 8.76 88
80 1.07 11
81 1.93 19
83 1.51 15
89 5.43 54
90 9.08 91
91 99.99 999
92 6.83 68
97 80.26 803
98 5.83 58
105 3.16 32
107 9.71 97
108 4.19 42
113 1.23 12
115 3.68 37
117 7.03 70
118 1.31 13
129 2.58 26
131 1.82 18
132 1.37 14
133 4.08 41
144 6.76 68
145 1.54 15
147 4.04 40
148 6.75 68
157 1.16 12
158 1.31 13
159 2.94 29
161 5.79 58
162 3.22 32
204 5.38 54
205 1.09 11
//