MassBank Record: MSBNK-MSSJ-MSJ02155
ACCESSION: MSBNK-MSSJ-MSJ02155
RECORD_TITLE: Triphenylguanidine; ESI-QTOF; MS; ESI; NEGATIVE
DATE: 2021.10.06
AUTHORS: Atsushi Yamamoto, Faculty of Environmental Studies, Tottori University of Environmental Studies, 1-1, Wakabadai-kita, Tottori City, Tottori 689-1111, Japan.
LICENSE: CC BY
COPYRIGHT: Atsushi Yamamoto, Faculty of Environmental Studies, Tottori University of Environmental Studies, 1-1, Wakabadai-kita, Tottori City, Tottori 689-1111, Japan.
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 22HP8019 to the Mass Spectrometry Society of Japan.
COMMENT: The sample was injected by direct infusion.
CH$NAME: Triphenylguanidine
CH$COMPOUND_CLASS: Non-natural product
CH$FORMULA: C19H17N3
CH$EXACT_MASS: 287.14224
CH$SMILES: c1ccc(N=C(Nc2ccccc2)Nc2ccccc2)cc1
CH$IUPAC: InChI=1S/C19H17N3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,(H2,20,21,22)
CH$LINK: CAS
101-01-9
CH$LINK: CHEMSPIDER
7258
CH$LINK: INCHIKEY
FUPAJKKAHDLPAZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:7539
AC$INSTRUMENT: X500R QTOF (AB Sciex LLC, USA)
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
PK$SPLASH: splash10-000i-0090000000-e978afed8dd5b25f6e7d
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
286.1347 100 999
287.1383 21.6546 216
322.112 4.522 45
324.1094 1.5701 16
//