MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002936
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002936
RECORD_TITLE: DIMETHYL 3-HYDROXY-PHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: DIMETHYL 3-HYDROXY-PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H10O5
CH$EXACT_MASS: 210.05282
CH$SMILES: COC(=O)c(c1)c(C(=O)OC)c(O)cc1
CH$IUPAC: InChI=1S/C10H10O5/c1-14-9(12)6-4-3-5-7(11)8(6)10(13)15-2/h3-5,11H,1-2H3
CH$LINK: INCHIKEY
BQGDDMMXPRJQHZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80481212
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-2910000000-b313cfb5977c973f5495
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
15 6.14 61
39 2.92 29
53 2.53 25
62 2.7 27
63 7.61 76
65 6.52 65
92 4.56 46
93 6.18 62
108 5.21 52
119 2.21 22
120 2.83 28
121 2.94 29
136 3.39 34
149 5.62 56
151 6.3 63
179 99.99 999
180 10.38 104
210 23.46 235
211 2.45 25
//
system version 2.2.6-SNAPSHOT