MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010311
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010311
RECORD_TITLE: PHENYLPHOSPHONIC ACID; 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$NAME: PHENYLPHOSPHONIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H7O3P
CH$EXACT_MASS: 158.01328
CH$SMILES: c(c1)ccc(c1)P(O)(O)=O
CH$IUPAC: InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
CH$LINK: INCHIKEY
QLZHNIAADXEJJP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2044399
AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0006-9200000000-eaf81fa8360b13c0704d
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
38 1.29 13
39 3.94 39
47 4.91 49
50 8.71 87
51 16.12 161
52 1.57 16
63 1.95 20
64 1.63 16
65 5.87 59
66 9.86 99
74 4.52 45
75 2.87 29
76 3.69 37
77 16.77 168
78 5.94 59
81 8.06 81
93 1.49 15
94 99.99 999
95 6.94 69
139 1.78 18
140 1.66 17
141 1.97 20
158 41.43 414
159 4.88 49
//
system version 2.2.8-SNAPSHOT