MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002218
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002218
RECORD_TITLE: (ORTHO-METHOXYCARBONYL)PHENYLACETIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: (ORTHO-METHOXYCARBONYL)PHENYLACETIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12O4
CH$EXACT_MASS: 208.07356
CH$SMILES: COC(=O)Cc(c1)c(ccc1)C(=O)OC
CH$IUPAC: InChI=1S/C11H12O4/c1-14-10(12)7-8-5-3-4-6-9(8)11(13)15-2/h3-6H,7H2,1-2H3
CH$LINK: INCHIKEY
ROMWRJNZSHFGEK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80291570
AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-002b-3900000000-0cd70492ca6bdf804629
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
38 2.6 26
39 7.8 78
50 2.6 26
51 0.96 10
52 2.6 26
53 3.5 35
62 6.1 61
63 1.4 14
64 6.1 61
65 10.5 105
75 1.7 17
76 0.35 4
77 10.5 105
78 7 70
79 2.6 26
88 0.17 2
89 25.4 254
90 21 210
91 67.5 675
92 0.35 4
103 2.6 26
104 2.6 26
105 14.9 149
106 0.35 4
117 3.5 35
118 9.6 96
119 40.3 403
120 0.43 4
121 2.6 26
133 78.9 789
134 9.6 96
145 0.26 3
148 99.99 999
149 80.7 807
150 7 70
163 0.17 2
176 98.2 982
177 33.3 333
178 4.3 43
208 2.6 26
//
system version 2.2.6-SNAPSHOT