MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008526
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008526
RECORD_TITLE: PENTYL 3-PHENYLPROPENOATE; 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$NAME: PENTYL 3-PHENYLPROPENOATE
CH$NAME: AMYL CINNAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H18O2
CH$EXACT_MASS: 218.13068
CH$SMILES: CCCCCOC(=O)C=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C14H18O2/c1-2-3-7-12-16-14(15)11-10-13-8-5-4-6-9-13/h4-6,8-11H,2-3,7,12H2,1H3/b11-10+
CH$LINK: INCHIKEY
QDRJCWZGTMRXCL-ZHACJKMWSA-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$SPLASH: splash10-000t-3900000000-8731a1cf399f3af91eeb
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
14 2.62 26
27 10.11 101
29 7.3 73
39 5.27 53
41 14.44 144
42 6.98 70
43 10.49 105
50 2.98 30
51 12.13 121
52 1.72 17
53 1.32 13
55 5.08 51
63 2.32 23
69 2.56 26
70 3.72 37
74 1.56 16
75 1.97 20
76 3.4 34
77 37.01 370
78 3.22 32
91 2.94 29
101 1.47 15
102 13.89 139
103 50.54 505
104 11.7 117
105 1.45 15
107 1.11 11
120 2.38 24
130 2.14 21
131 99.99 999
132 11.09 111
133 1.19 12
146 1.77 18
147 47.28 473
148 93.11 931
149 22.57 226
150 2.94 29
218 15.72 157
219 2.17 22
//
system version 2.2.8-SNAPSHOT