MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002095
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002095
RECORD_TITLE: ORTHO-CYANOBENZALDEHYDE; 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$NAME: ORTHO-CYANOBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H5NO
CH$EXACT_MASS: 131.03711
CH$SMILES: N#Cc(c1)c(C=O)ccc1
CH$IUPAC: InChI=1S/C8H5NO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,6H
CH$LINK: INCHIKEY
QVTPWONEVZJCCS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80225653
AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0udi-5900000000-409f18589016609c8a58
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
27 2.41 24
29 2.97 30
37 2.62 26
38 2.41 24
39 3.38 34
49 1.93 19
50 14.9 149
51 8.9 89
51.5 1.52 15
52 3.31 33
61 1.38 14
62 1.38 14
63 1.59 16
73 1.38 14
74 4.83 48
75 15.03 150
76 38.14 381
77 3.86 39
102 31.03 310
103 99.99 999
104 24.41 244
105 1.52 15
130 23.1 231
131 8.14 81
132 1.38 14
//