MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002229
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002229
RECORD_TITLE: TEREPHTHALALDEHYDIC 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$NAME: TEREPHTHALALDEHYDIC ACID METHYL ESTER
CH$NAME: METHYL PARA-FORMYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H8O3
CH$EXACT_MASS: 164.04734
CH$SMILES: O=Cc(c1)ccc(c1)C(=O)OC
CH$IUPAC: InChI=1S/C9H8O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6H,1H3
CH$LINK: INCHIKEY
FEIOASZZURHTHB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4025610
AC$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: splash10-001i-4900000000-fe21f4a3ee117cb5579b
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
49 0.9 9
50 13.5 135
51 20.7 207
52 0.29 3
53 0.9 9
62 1.4 14
63 1.7 17
66 0.17 2
75 6.4 64
76 9.6 96
77 31.1 311
78 0.17 2
91 0.9 9
92 1.4 14
103 6.1 61
104 0.64 6
105 38.7 387
106 3.4 34
107 1.7 17
119 0.29 3
120 3.2 32
121 0.9 9
133 99.99 999
134 0.93 9
135 10.3 103
136 1.4 14
163 18.7 187
164 5.35 54
165 6.1 61
//