MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011883
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011883
RECORD_TITLE: 4-METHOXYBENZYLAMINE; 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$NAME: 4-METHOXYBENZYLAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H11NO
CH$EXACT_MASS: 137.08406
CH$SMILES: NCc(c1)ccc(OC)c1
CH$IUPAC: InChI=1S/C8H11NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3
CH$LINK: CAS
2393-23-9
CH$LINK: NIKKAJI
J101.237A
CH$LINK: INCHIKEY
IDPURXSQCKYKIJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2062371
AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-000i-4900000000-cf58462d070dccc8a608
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
15 3.22 32
27 1.53 15
28 10.18 102
29 1.73 17
30 14.9 149
38 2.03 20
39 6.42 64
40 1.16 12
41 3.32 33
50 3.93 39
51 6.41 64
52 3.12 31
53 1.46 15
54 1.32 13
62 1.46 15
63 4.96 50
64 3.3 33
65 7.08 71
66 5.72 57
67 4.24 42
74 1.25 13
76 1.31 13
77 14.95 150
78 9.61 96
79 5.93 59
81 1.21 12
89 3.72 37
90 1.17 12
91 6.76 68
92 3.08 31
93 8.65 87
94 12.77 128
95 2.38 24
104 4.26 43
105 5.68 57
106 41.32 413
107 4.9 49
108 8.77 88
109 18.8 188
110 1.57 16
119 5.25 53
120 11.97 120
121 40 400
122 9.32 93
123 1.11 11
134 3.14 31
135 1.62 16
136 99.99 999
137 82.86 829
138 8.07 81
//