MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008558
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008558
RECORD_TITLE: METHYL 3-PHENYLPROPIONATE; 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$NAME: METHYL 3-PHENYLPROPIONATE
CH$NAME: 3-PHENYLPROPIONIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O2
CH$EXACT_MASS: 164.08373
CH$SMILES: COC(=O)CCc(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
CH$LINK: INCHIKEY
RPUSRLKKXPQSGP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2059271
AC$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: splash10-0udl-9800000000-ef5836e3dba1d1460b3b
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
15 9.02 90
27 7.71 77
28 1.05 11
29 2.93 29
31 1.11 11
38 1.21 12
39 10.04 100
41 1.27 13
42 2.57 26
50 5.32 53
51 16.27 163
52 3.21 32
53 1.5 15
55 1.58 16
59 3.33 33
62 1.24 12
63 4.42 44
64 1 10
65 10.37 104
74 1.57 16
75 1.32 13
76 1.64 16
77 19.7 197
78 14.64 146
79 10.82 108
89 2.2 22
90 1.06 11
91 64.29 643
92 4.13 41
102 1.7 17
103 11.53 115
104 99.99 999
105 34.7 347
106 2.09 21
107 4.2 42
131 1.72 17
133 8.81 88
164 23.92 239
165 1.97 20
//
system version 2.2.8-SNAPSHOT