MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003520
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003520
RECORD_TITLE: P-HYDROXYPHENYLACETIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: P-HYDROXYPHENYLACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O3
CH$EXACT_MASS: 152.04734
CH$SMILES: OC(=O)Cc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
CH$LINK: INCHIKEY
XQXPVVBIMDBYFF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5059745
AC$INSTRUMENT: HITACHI M-68
AC$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$SPLASH: splash10-0a4i-2900000000-3939c62b0d7f649ff402
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
38 1 10
50 2.3 23
51 5.6 56
52 2.6 26
53 3.5 35
77 11.8 118
78 4.4 44
79 0.2 2
107 99.99 999
108 7.7 77
109 1.5 15
152 3.4 34
153 3 30
//