MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005864
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005864
RECORD_TITLE: ORTHO-PHENETIDINE; 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$NAME: ORTHO-PHENETIDINE
CH$NAME: 2-AMINOPHENETOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H11NO
CH$EXACT_MASS: 137.08406
CH$SMILES: CCOc(c1)c(N)ccc1
CH$IUPAC: InChI=1S/C8H11NO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2,9H2,1H3
CH$LINK: INCHIKEY
ULHFFAFDSSHFDA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5025863
AC$INSTRUMENT: HITACHI RMU-6M
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-7900000000-c61614886173dc01579a
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
15 1.04 10
26 2.35 24
27 12.27 123
28 7.31 73
29 4.44 44
30 1.83 18
38 2.35 24
39 8.88 89
40 1.57 16
41 3.39 34
42 1.83 18
50 3.13 31
51 6.01 60
52 10.71 107
53 17.23 172
54 4.18 42
62 1.04 10
63 3.66 37
64 3.39 34
65 10.97 110
66 2.09 21
77 1.04 10
78 2.61 26
79 2.61 26
80 69.71 697
81 6.53 65
91 2.61 26
92 6.27 63
93 2.61 26
94 1.57 16
108 99.99 999
109 65.54 655
110 4.44 44
122 1.83 18
136 1.04 10
137 74.15 742
138 7.05 71
//