MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001316
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001316
RECORD_TITLE: ACETIC ACID PARA-METHOXY BENZYL 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$NAME: ACETIC ACID PARA-METHOXY BENZYL ESTER
CH$NAME: 4-METHOXYBENZYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O3
CH$EXACT_MASS: 180.07864
CH$SMILES: COc(c1)ccc(COC(C)=O)c1
CH$IUPAC: InChI=1S/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3
CH$LINK: INCHIKEY
HFNGYHHRRMSKEU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1044770
AC$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: splash10-00di-4900000000-60ea4405cfb2f971c2dd
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
15 1.92 19
28 1.32 13
39 3.71 37
43 20.12 201
50 2.32 23
51 6.62 66
52 3.38 34
63 3.38 34
64 2.38 24
65 3.18 32
66 1.32 13
77 18.46 185
78 9.6 96
79 1.72 17
89 5.29 53
90 4.96 50
91 21.05 211
92 5.63 56
94 3.31 33
105 4.96 50
106 2.45 25
107 3.24 32
109 8.27 83
119 4.04 40
120 38.32 383
121 99.99 999
122 8.87 89
135 2.25 23
137 6.09 61
138 19.19 192
139 1.19 12
163 1.32 13
180 41.03 410
181 3.97 40
//