MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002139
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002139
RECORD_TITLE: PHENYL ACETIC ACID ETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: PHENYL ACETIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O2
CH$EXACT_MASS: 164.08373
CH$SMILES: CCOC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
CH$LINK: INCHIKEY
DULCUDSUACXJJC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6044353
AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0006-9100000000-582a1e3bd3dd7bf289d2
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
15 1.2 12
27 2.58 26
28 2.45 25
29 18.32 183
39 4.69 47
41 1.49 15
44 7.44 74
45.5 1.32 13
50 1.32 13
51 3.38 34
59 1.26 13
63 2.75 28
65 10.13 101
77 3.55 36
78 1.03 10
89 2.86 29
90 2.18 22
91 99.99 999
92 10.53 105
105 6.41 64
106 2.12 21
118 1.09 11
119 2.29 23
149 5.67 57
164 14.77 148
165 1.72 17
//