MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011064
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011064
RECORD_TITLE: BENZOTRIAZOLE; 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$NAME: BENZOTRIAZOLE
CH$NAME: 1,2,3-BENZOTRIAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H5N3
CH$EXACT_MASS: 119.04835
CH$SMILES: C1=CC2=NNN=C2C=C1
CH$IUPAC: InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
CH$LINK: CAS
95-14-7
CH$LINK: INCHIKEY
QRUDEWIWKLJBPS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6020147
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-03xu-9200000000-14c60454b23abfdc1f33
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
26 3.1 31
27 3.14 31
28 3.23 32
29 3.39 34
37 9.29 93
38 20.98 210
39 14.82 148
40 3.67 37
41 8.28 83
44 1.45 15
46 1.25 13
49 1.9 19
50 4.65 47
51 5.62 56
52 21.71 217
53 1.4 14
60 1.18 12
61 8.25 83
62 12.59 126
63 48 480
64 62.29 623
65 19.19 192
75 1.04 10
76 2.06 21
87 1.38 14
88 1.47 15
90 5.09 51
91 77.86 779
92 5.81 58
119 99.99 999
120 11.21 112
//